N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide

C14H15ClN2O — CID 66257240

IUPACN-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)C1(C#N)CCCC1
InChIInChI=1S/C14H15ClN2O/c1-10-5-4-6-11(15)12(10)17-13(18)14(9-16)7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H,17,18)
InChIKeyLCIATFLHISTEHG-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.67
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide

N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide (PubChem CID 66257240) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide
PubChem CID66257240
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)C1(C#N)CCCC1
InChIInChI=1S/C14H15ClN2O/c1-10-5-4-6-11(15)12(10)17-13(18)14(9-16)7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H,17,18)
InChIKeyLCIATFLHISTEHG-UHFFFAOYSA-N
XLogP3.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 51246250
1-amino-N-(2-chloro-6-methylphenyl)cyclobutane-1-carboxamide
CID 81169248
N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide
CID 4060747
1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 78994957
1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720
1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 60717449
N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide
CID 103479524
1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107600288
N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 66256845
N-(4-bromo-2,6-dimethylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 80599432
N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 51224336
N-(2-bromo-5-chloro-4-methylphenyl)-1-cyanocycloheptane-1-carboxamide
CID 104723753

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide (CID 66257240) is N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide is Cc1cccc(Cl)c1NC(=O)C1(C#N)CCCC1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide?
The InChIKey is LCIATFLHISTEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10-5-4-6-11(15)12(10)17-13(18)14(9-16)7-2-3-8-14/h4-6H,2-3,7-8H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide?
N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide has a molecular weight of 262.74 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide is sourced from PubChem (CID 66257240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).