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

C20H21Cl2NO3 — CID 1329491

IUPACN-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(Cl)c(Cl)c3)CCCC2)cc1OC
InChIInChI=1S/C20H21Cl2NO3/c1-25-17-8-5-13(11-18(17)26-2)20(9-3-4-10-20)19(24)23-14-6-7-15(21)16(22)12-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,24)
InChIKeyCVJAMHDSHDCOPX-UHFFFAOYSA-N
MW394.30 g/mol
LogP5.46
Rot. Bonds5

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

N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 1329491) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
PubChem CID1329491
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC NameN-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(Cl)c(Cl)c3)CCCC2)cc1OC
InChIInChI=1S/C20H21Cl2NO3/c1-25-17-8-5-13(11-18(17)26-2)20(9-3-4-10-20)19(24)23-14-6-7-15(21)16(22)12-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,24)
InChIKeyCVJAMHDSHDCOPX-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

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Related Compounds

N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049
N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1324116
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
ethyl 4-[[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 1147522
N-(4-acetylphenyl)-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 110438984
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide
CID 110438991
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672829
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100744030

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide (CID 1329491) is N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(Cl)c(Cl)c3)CCCC2)cc1OC.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is CVJAMHDSHDCOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c1-25-17-8-5-13(11-18(17)26-2)20(9-3-4-10-20)19(24)23-14-6-7-15(21)16(22)12-14/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,24).
What are the key properties of N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
N-(3,4-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-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 1329491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).