N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide

C20H21Cl2NO3 — CID 1324116

IUPACN-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3c(Cl)cccc3Cl)CCCC2)cc1OC
InChIInChI=1S/C20H21Cl2NO3/c1-25-16-9-8-13(12-17(16)26-2)20(10-3-4-11-20)19(24)23-18-14(21)6-5-7-15(18)22/h5-9,12H,3-4,10-11H2,1-2H3,(H,23,24)
InChIKeyPMSQPMYDZGBRSJ-UHFFFAOYSA-N
MW394.30 g/mol
LogP5.46
Rot. Bonds5

About N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide

N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 1324116) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
PubChem CID1324116
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC NameN-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3c(Cl)cccc3Cl)CCCC2)cc1OC
InChIInChI=1S/C20H21Cl2NO3/c1-25-16-9-8-13(12-17(16)26-2)20(10-3-4-11-20)19(24)23-18-14(21)6-5-7-15(18)22/h5-9,12H,3-4,10-11H2,1-2H3,(H,23,24)
InChIKeyPMSQPMYDZGBRSJ-UHFFFAOYSA-N
XLogP5.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.30
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
N-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110439004
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 55783455
N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide
CID 4060747
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
ethyl 4-[[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 1147522
N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 84597029
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110438984

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide (CID 1324116) is N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)Nc3c(Cl)cccc3Cl)CCCC2)cc1OC.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is PMSQPMYDZGBRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c1-25-16-9-8-13(12-17(16)26-2)20(10-3-4-11-20)19(24)23-18-14(21)6-5-7-15(18)22/h5-9,12H,3-4,10-11H2,1-2H3,(H,23,24).
What are the key properties of N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 394.30 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 1324116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).