N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide

C14H15ClN2O — CID 47121122

IUPACN-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H15ClN2O/c15-12-5-3-11(4-6-12)9-17-13(18)14(10-16)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,17,18)
InChIKeyVTJFVPMFDVLKIO-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.04
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide

N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide (PubChem CID 47121122) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
PubChem CID47121122
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H15ClN2O/c15-12-5-3-11(4-6-12)9-17-13(18)14(10-16)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,17,18)
InChIKeyVTJFVPMFDVLKIO-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-cyanocyclohexane-1-carboxamide
CID 55071184
1-cyano-N-[(4-cyanophenyl)methyl]cyclohexane-1-carboxamide
CID 61461994
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyanocyclopropane-1-carboxamide
CID 80591814
1-cyano-N-[(4-ethylphenyl)methyl]cyclopropane-1-carboxamide
CID 106899829
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 115183319
1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 110908761
1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 61461590
N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39856169
1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 51246958
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 47117713
1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 51090126

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide (CID 47121122) is N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide is N#CC1(C(=O)NCc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide?
The InChIKey is VTJFVPMFDVLKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-5-3-11(4-6-12)9-17-13(18)14(10-16)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,17,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide?
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide has a molecular weight of 262.74 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide is sourced from PubChem (CID 47121122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).