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

C19H20ClNO — CID 4060747

IUPACN-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H20ClNO/c1-14-8-7-11-16(20)17(14)21-18(22)19(12-5-6-13-19)15-9-3-2-4-10-15/h2-4,7-11H,5-6,12-13H2,1H3,(H,21,22)
InChIKeyCZWFMRQHPSOMNI-UHFFFAOYSA-N
MW313.83 g/mol
LogP5.10
Rot. Bonds3

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

N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide (PubChem CID 4060747) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide
PubChem CID4060747
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC NameN-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H20ClNO/c1-14-8-7-11-16(20)17(14)21-18(22)19(12-5-6-13-19)15-9-3-2-4-10-15/h2-4,7-11H,5-6,12-13H2,1H3,(H,21,22)
InChIKeyCZWFMRQHPSOMNI-UHFFFAOYSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-N-(2-chloro-6-methylphenyl)cyclobutane-1-carboxamide
CID 81169248
N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 66257240
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438554
N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 27445227
N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 66256845
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 43546852
N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1324116
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611350
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
3-chloro-2-[(1-methylcyclopentanecarbonyl)amino]benzoic acid
CID 107046344
N-(5-methyl-1H-imidazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 138045929

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide (CID 4060747) is N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide is Cc1cccc(Cl)c1NC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide?
The InChIKey is CZWFMRQHPSOMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-14-8-7-11-16(20)17(14)21-18(22)19(12-5-6-13-19)15-9-3-2-4-10-15/h2-4,7-11H,5-6,12-13H2,1H3,(H,21,22).
What are the key properties of N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide?
N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide has a molecular weight of 313.83 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 4060747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).