Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000943

Phytochemical name: Benzamide

Synonymous chemical names:
benzamide

External chemical identifiers:
CID:CID_2331, ChEMBL:CHEMBL267373, ChEBI: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

Link to spectral information:
MSBNK-Keio_Univ-KO002442, MSBNK-Keio_Univ-KO002440, MSBNK-Keio_Univ-KO002439, MSBNK-Keio_Univ-KO002438, MSBNK-Fac_Eng_Univ_Tokyo-JP000559, MSBNK-Eawag-EQ01074409, MSBNK-Eawag-EQ01074408, MSBNK-Keio_Univ-KO002441, MSBNK-Eawag-EQ01074406, MSBNK-Eawag-EQ01074405, MSBNK-Eawag-EQ01074404, MSBNK-Eawag-EQ01074403, MSBNK-Eawag-EQ01074402, MSBNK-Eawag-EQ01074401, MSBNK-CASMI_2016-SM808001, MSBNK-Eawag-EQ01074407

---

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