1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide

C24H28ClNO2 — CID 100666997

IUPAC1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OC1CCCC1
InChIInChI=1S/C24H28ClNO2/c1-17-16-18(12-13-22(17)28-19-8-2-3-9-19)26-23(27)24(14-6-7-15-24)20-10-4-5-11-21(20)25/h4-5,10-13,16,19H,2-3,6-9,14-15H2,1H3,(H,26,27)
InChIKeyIEZFBAYJDNIBSN-UHFFFAOYSA-N
MW397.95 g/mol
LogP6.42
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide

1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 100666997) has the molecular formula C24H28ClNO2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide
PubChem CID100666997
Molecular FormulaC24H28ClNO2
Molecular Weight397.95 g/mol
Exact Mass397.18
IUPAC Name1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OC1CCCC1
InChIInChI=1S/C24H28ClNO2/c1-17-16-18(12-13-22(17)28-19-8-2-3-9-19)26-23(27)24(14-6-7-15-24)20-10-4-5-11-21(20)25/h4-5,10-13,16,19H,2-3,6-9,14-15H2,1H3,(H,26,27)
InChIKeyIEZFBAYJDNIBSN-UHFFFAOYSA-N
XLogP6.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.95
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-(4-methoxy-3-methylphenyl)cyclohexane-1-carboxamide
CID 100676610
N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672600
N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide
CID 100705112
4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide
CID 100685863
N-(3-chloro-4-methylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 110439353
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100667929
N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439021
4-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]-2-methylbenzoic acid
CID 119240489
1-(2-chlorophenyl)-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770147
1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117493650
1-(2-chlorophenyl)-N-[3-cyano-4-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100747004
N-(3-methyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658573

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide (CID 100666997) is 1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide is Cc1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OC1CCCC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is IEZFBAYJDNIBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClNO2/c1-17-16-18(12-13-22(17)28-19-8-2-3-9-19)26-23(27)24(14-6-7-15-24)20-10-4-5-11-21(20)25/h4-5,10-13,16,19H,2-3,6-9,14-15H2,1H3,(H,26,27).
What are the key properties of 1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide?
1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 397.95 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100666997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).