N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide

C12H11FN2O — CID 82114013

IUPACN-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
SMILESN#CC(NC(=O)C1CC1)c1ccccc1F
InChIInChI=1S/C12H11FN2O/c13-10-4-2-1-3-9(10)11(7-14)15-12(16)8-5-6-8/h1-4,8,11H,5-6H2,(H,15,16)
InChIKeyUSVMZRPCNRUWPR-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.92
Rot. Bonds3

About N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide

N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide (PubChem CID 82114013) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
PubChem CID82114013
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
SMILESN#CC(NC(=O)C1CC1)c1ccccc1F
InChIInChI=1S/C12H11FN2O/c13-10-4-2-1-3-9(10)11(7-14)15-12(16)8-5-6-8/h1-4,8,11H,5-6H2,(H,15,16)
InChIKeyUSVMZRPCNRUWPR-UHFFFAOYSA-N
XLogP1.92
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano-(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 56572333
N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide
CID 124606737
N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 56572302
N-[cyano-(2-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 56572052
N-[cyano-(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 56516677
N-[cyano-(2-fluorophenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 56572242
N-[cyano(phenyl)methyl]cyclobutanecarboxamide
CID 60699487
N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005788
N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide
CID 56516675
N-[cyano(phenyl)methyl]cycloheptanecarboxamide
CID 62586494
(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide
CID 95617372
2-bromo-N-[(S)-cyano-(2-fluorophenyl)methyl]benzamide
CID 96533894

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide (CID 82114013) is N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide is N#CC(NC(=O)C1CC1)c1ccccc1F.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide?
The InChIKey is USVMZRPCNRUWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-10-4-2-1-3-9(10)11(7-14)15-12(16)8-5-6-8/h1-4,8,11H,5-6H2,(H,15,16).
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide?
N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide has a molecular weight of 218.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 82114013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).