1.0
2011-09-21 00:28:55 UTC
2015-10-09 22:33:08 UTC
FDB023373
Benzamide
Benzamide is an intermediate in the Benzoate degradation via CoA ligation.
Benzamides are a class of chemical compounds derived from Benzamid, the carbonic acid amide of benzoic acid.
In psychiatry some substituted benzamides are therapeutically used as neuroleptics and/or antipsychotics (wikipedia) [HMDB]
Amid kyseliny benzoove
Benzamide (acd/name 4.0)
Benzenecarboxamide
Benzoate amide
Benzoic acid amide
Benzoylamide
PHC(=O)NH2
PHC(O)NH2
Phenyl carboxyamide
Phenylcarboxamide
Phenylcarboxyamide
Tigan
Tigan (TN)
Trimethobenzamide hydrochloride
C7H7NO
121.1366
121.052763851
benzamide
benzamide
55-21-0
NC(=O)C1=CC=CC=C1
InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
KXDAEFPNCMNJSK-UHFFFAOYSA-N
belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
Benzamides
Organic compounds
Benzenoids
Benzene and substituted derivatives
Benzoic acids and derivatives
Aromatic homomonocyclic compounds
Benzoyl derivatives
Hydrocarbon derivatives
Organic oxides
Organonitrogen compounds
Organooxygen compounds
Organopnictogen compounds
Primary carboxylic acid amides
Aromatic homomonocyclic compound
Benzamide
Benzoyl
Carboxamide group
Carboxylic acid derivative
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Primary carboxylic acid amide
benzamides
Solid
logp
0.51
logs
-1.14
solubility
8.77e+00 g/l
logp
0.82
pka_strongest_acidic
14.56
pka_strongest_basic
-1.2
iupac
benzamide
average_mass
121.1366
mono_mass
121.052763851
smiles
NC(=O)C1=CC=CC=C1
formula
C7H7NO
inchi
InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
inchikey
KXDAEFPNCMNJSK-UHFFFAOYSA-N
polar_surface_area
43.09
refractivity
35.14
polarizability
12.38
rotatable_bond_count
1
acceptor_count
1
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::MsIr
2223
Specdb::MsIr
2224
Specdb::MsIr
2225
Specdb::CMs
18340
Specdb::CMs
26867
Specdb::CMs
26972
Specdb::CMs
29816
Specdb::CMs
32083
Specdb::CMs
99856
Specdb::CMs
99857
Specdb::CMs
99858
Specdb::CMs
99859
Specdb::CMs
146553
Specdb::NmrOneD
48322
Specdb::NmrOneD
48323
Specdb::NmrOneD
48324
Specdb::NmrOneD
48325
Specdb::NmrOneD
48326
Specdb::NmrOneD
48327
Specdb::NmrOneD
48328
Specdb::NmrOneD
48329
Specdb::NmrOneD
48330
Specdb::NmrOneD
48331
Specdb::NmrOneD
48332
Specdb::NmrOneD
48333
Specdb::NmrOneD
48334
Specdb::NmrOneD
48335
Specdb::NmrOneD
48336
Specdb::NmrOneD
48337
Specdb::NmrOneD
48338
Specdb::NmrOneD
48339
Specdb::NmrOneD
48340
Specdb::NmrOneD
48341
Specdb::MsMs
2388
Specdb::MsMs
2389
Specdb::MsMs
2390
Specdb::MsMs
6031
Specdb::MsMs
6032
Specdb::MsMs
6033
Specdb::MsMs
6034
Specdb::MsMs
6035
Specdb::MsMs
6036
Specdb::MsMs
6037
Specdb::MsMs
9833
Specdb::MsMs
9834
Specdb::MsMs
9835
Specdb::MsMs
16505
Specdb::MsMs
16506
Specdb::MsMs
16507
Specdb::MsMs
445791
Specdb::MsMs
445792
Specdb::MsMs
445793
Specdb::MsMs
445794
Specdb::MsMs
445795
Specdb::MsMs
452279
Specdb::MsMs
2231677
Specdb::MsMs
2250230
Specdb::MsMs
2708543
HMDB04461
UNU
#<Reference:0x0000555674f389f8>
#<Reference:0x0000555674f38840>
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#<Reference:0x0000555674f38458>
#<Reference:0x0000555674f38110>
#<Reference:0x0000555674f1fb88>
#<Reference:0x0000555674f1f908>
#<Reference:0x0000555674f1f700>
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823
bitter