N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide

C14H15ClN2O — CID 124606737

IUPACN-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide
SMILESN#C[C@H](NC(=O)C1CCCC1)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O/c15-12-8-4-3-7-11(12)13(9-16)17-14(18)10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6H2,(H,17,18)/t13-/m0/s1
InChIKeyWQSWKABKXQQJIO-ZDUSSCGKSA-N
MW262.74 g/mol
LogP3.21
Rot. Bonds3

About N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide

N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide (PubChem CID 124606737) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide
PubChem CID124606737
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide
SMILESN#C[C@H](NC(=O)C1CCCC1)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O/c15-12-8-4-3-7-11(12)13(9-16)17-14(18)10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6H2,(H,17,18)/t13-/m0/s1
InChIKeyWQSWKABKXQQJIO-ZDUSSCGKSA-N
XLogP3.21
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano(phenyl)methyl]cycloheptanecarboxamide
CID 62586494
N-[cyano(phenyl)methyl]cyclobutanecarboxamide
CID 60699487
N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013
(1R)-N-[(R)-(2-chlorophenyl)-cyanomethyl]-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxamide
CID 124846706
N-[cyano-(2,3-dichlorophenyl)methyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166287454
4-[[(2-chlorophenyl)-cyanomethyl]amino]-4-oxobutanoic acid
CID 70211689
N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005788
N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide
CID 99818947
(3R)-N-[(S)-cyano-(2-methoxyphenyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide
CID 96528500
N-[cyano-(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 56572333
(2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile
CID 27137488
N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide
CID 99819505

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide?
The IUPAC name of N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide (CID 124606737) is N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide is N#C[C@H](NC(=O)C1CCCC1)c1ccccc1Cl.
What is the InChIKey of N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide?
The InChIKey is WQSWKABKXQQJIO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-8-4-3-7-11(12)13(9-16)17-14(18)10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6H2,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide?
N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide has a molecular weight of 262.74 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide is sourced from PubChem (CID 124606737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).