Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015031

Phytochemical name: Formanilide

Synonymous chemical names:
formanilide

External chemical identifiers:
CID:CID_7671, ChEMBL:CHEMBL1232659, ChEBI:CHEBI:42416, ZINC:ZINC000013550498, FDASRS:2805XEA9CL, SureChEMBL:SCHEMBL2463, MolPort-001-002-754

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Chemical structure information

SMILES:
O=CNc1ccccc1

InChI:
InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)

InChIKey:
DYDNPESBYVVLBO-UHFFFAOYSA-N

DeepSMILES:
O=CNcccccc6

Functional groups:
cNC=O

Link to spectral information:
MSBNK-UvA_IBED-UI000601

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Anilides

NP-Likeness score: -0.655

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Chemical structure download