Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007581

Phytochemical name: N-Methylformanilide

Synonymous chemical names:
n-methyl-n-phenylformamide

External chemical identifiers:
CID:CID_66737, ZINC:ZINC000003860612, SureChEMBL:SCHEMBL66606, MolPort-001-780-248

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Chemical structure information

SMILES:
O=CN(c1ccccc1)C

InChI:
InChI=1S/C8H9NO/c1-9(7-10)8-5-3-2-4-6-8/h2-7H,1H3

InChIKey:
JIKUXBYRTXDNIY-UHFFFAOYSA-N

DeepSMILES:
O=CNcccccc6))))))C

Functional groups:
cN(C)C=O

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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 Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.231

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Chemical structure download