Summary

IMPPAT Phytochemical identifier: IMPHY005679

Phytochemical name: Benzamide

Synonymous chemical names:
benzamide

External chemical identifiers:
CID:2331, ChEMBL:CHEMBL267373, ChEBI:28179, ZINC:ZINC000000152996, FDASRS:6X80438640, SureChEMBL:SCHEMBL16352, MolPort-001-497-861

---

Chemical structure information

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

DeepSMILES:
NC=O)cccccc6

Functional groups:
cC(N)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Peptide alkaloids

NP Classifier Class: Simple amide alkaloids

NP-Likeness score: -0.89

---

Chemical structure download