N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide

C13H16ClNO2 — CID 110777920

IUPACN-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
SMILESCOc1ccc(NC(=O)C2CCCC2)c(Cl)c1
InChIInChI=1S/C13H16ClNO2/c1-17-10-6-7-12(11(14)8-10)15-13(16)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyARBARFFSKCCWJF-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.48
Rot. Bonds3

About N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide

N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide (PubChem CID 110777920) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
PubChem CID110777920
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC NameN-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
SMILESCOc1ccc(NC(=O)C2CCCC2)c(Cl)c1
InChIInChI=1S/C13H16ClNO2/c1-17-10-6-7-12(11(14)8-10)15-13(16)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyARBARFFSKCCWJF-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
CID 146453828
N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide
CID 16774141
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
1-(2-chloro-4-methoxyphenyl)-3-cyclohexylthiourea
CID 5220485
N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 86860358
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
(2-chloro-4-methoxyphenyl)-cyclooctylmethanone
CID 65018637
1-[(2-chloro-4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115181821
N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide (CID 110777920) is N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide is COc1ccc(NC(=O)C2CCCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide?
The InChIKey is ARBARFFSKCCWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-17-10-6-7-12(11(14)8-10)15-13(16)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide?
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide has a molecular weight of 253.73 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 110777920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).