Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018225

Phytochemical name: N-(2-fluorophenyl)cyclopentanecarboxamide

Synonymous chemical names:
N-(2-fluorophenyl)cyclopentanecarboxamide

External chemical identifiers:
CID:CID_533294, ChEMBL:CHEMBL1885802, ZINC:ZINC000000476643, SureChEMBL:SCHEMBL43074, Molport-001-539-692

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Chemical structure information

SMILES:
O=C(C1CCCC1)Nc1ccccc1F

InChI:
InChI=1S/C12H14FNO/c13-10-7-3-4-8-11(10)14-12(15)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,14,15)

InChIKey:
BILOBPFKHTWHOV-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCC5)))))Ncccccc6F

Functional groups:
cNC(C)=O, cF

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(Nc1ccccc1)C1CCCC1

Scaffold Graph/Node level:
OC(NC1CCCCC1)C1CCCC1

Scaffold Graph level:
CC(CC1CCCCC1)C1CCCC1

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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: -2.098

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Chemical structure download