2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide

C19H16F2N2O — CID 125465048

IUPAC2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide
SMILESN#Cc1ccccc1C(=O)N[C@@H]1CCC[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C19H16F2N2O/c20-16-9-8-12(10-17(16)21)14-6-3-7-18(14)23-19(24)15-5-2-1-4-13(15)11-22/h1-2,4-5,8-10,14,18H,3,6-7H2,(H,23,24)/t14-,18+/m0/s1
InChIKeyRBHONCITIHQLFN-KBXCAEBGSA-N
MW326.35 g/mol
LogP3.90
Rot. Bonds3

About 2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide

2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide (PubChem CID 125465048) has the molecular formula C19H16F2N2O and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide
PubChem CID125465048
Molecular FormulaC19H16F2N2O
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide
SMILESN#Cc1ccccc1C(=O)N[C@@H]1CCC[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C19H16F2N2O/c20-16-9-8-12(10-17(16)21)14-6-3-7-18(14)23-19(24)15-5-2-1-4-13(15)11-22/h1-2,4-5,8-10,14,18H,3,6-7H2,(H,23,24)/t14-,18+/m0/s1
InChIKeyRBHONCITIHQLFN-KBXCAEBGSA-N
XLogP3.90
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-(4-chlorophenyl)cyclohexyl]-2-(trifluoromethyl)benzamide
CID 125465080
2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491455
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91770020
2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279115
(3R,4R)-4-[(4-chlorobenzoyl)amino]-3-(3,4-difluorophenyl)piperidine-1-carboxylic acid
CID 68936497
2,5-difluoro-N-(2-hydroxycyclopentyl)benzamide
CID 43835745
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
2,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 55152720
[(2S)-2-phenylcyclohexyl]urea
CID 141176309
5-cyclopropyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,2-oxazole-3-carboxamide
CID 124739374
2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64814525
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 55171481

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide?
The IUPAC name of 2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide (CID 125465048) is 2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide.
What is the SMILES notation for 2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide?
The canonical SMILES for 2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide is N#Cc1ccccc1C(=O)N[C@@H]1CCC[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of 2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide?
The InChIKey is RBHONCITIHQLFN-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H16F2N2O/c20-16-9-8-12(10-17(16)21)14-6-3-7-18(14)23-19(24)15-5-2-1-4-13(15)11-22/h1-2,4-5,8-10,14,18H,3,6-7H2,(H,23,24)/t14-,18+/m0/s1.
What are the key properties of 2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide?
2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide has a molecular weight of 326.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopentyl]benzamide is sourced from PubChem (CID 125465048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).