N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide

C20H22ClNO3 — CID 2014049

IUPACN-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3cccc(Cl)c3)CCCC2)cc1OC
InChIInChI=1S/C20H22ClNO3/c1-24-17-9-8-14(12-18(17)25-2)20(10-3-4-11-20)19(23)22-16-7-5-6-15(21)13-16/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,23)
InChIKeyWHUKYQSIYPZTQX-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.81
Rot. Bonds5

About N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide

N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 2014049) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
PubChem CID2014049
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC NameN-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3cccc(Cl)c3)CCCC2)cc1OC
InChIInChI=1S/C20H22ClNO3/c1-24-17-9-8-14(12-18(17)25-2)20(10-3-4-11-20)19(23)22-16-7-5-6-15(21)13-16/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,23)
InChIKeyWHUKYQSIYPZTQX-UHFFFAOYSA-N
XLogP4.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1324116
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 55783455
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
ethyl 4-[[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 1147522
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110439114

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide (CID 2014049) is N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)Nc3cccc(Cl)c3)CCCC2)cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is WHUKYQSIYPZTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-24-17-9-8-14(12-18(17)25-2)20(10-3-4-11-20)19(23)22-16-7-5-6-15(21)13-16/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,23).
What are the key properties of N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 359.85 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 2014049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).