Marvin  08290815512D          

  9  9  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  6  8  1  0  0  0  0
  8  7  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:28179

> <NAME>
benzamide

> <DEFINITION>
An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:46351; CHEBI:3021; CHEBI:22701

> <SYNONYM>
Phenylcarboxyamide; Phenylcarboxamide; PhC(O)NH2; PhC(=O)NH2; Benzoylamide; Benzoic acid amide; Benzenecarboxamide; Benzamide

> <IUPAC_NAME>
benzamide

> <FORMULA>
C7H7NO

> <MASS>
121.13662

> <MONOISOTOPIC_MASS>
121.05276

> <CHARGE>
0

> <SMILES>
NC(=O)c1ccccc1

> <INCHI>
InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)

> <INCHIKEY>
KXDAEFPNCMNJSK-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
385876

> <CAS_REGISTRY_NUMBER>
55-21-0

> <REAXYS_REGISTRY_NUMBER>
385876

> <CHEMIDPLUS>
55-21-0

> <KEGG_COMPOUND_ACCESSION>
C09815

> <NIST_CHEMISTRY_WEBBOOK>
55-21-0

> <WIKIPEDIA_ACCESSION>
Benzamide

> <PUBMED_CITATION>
20133863

$$$$