1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide

C23H28ClNO3 — CID 112823691

IUPAC1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
SMILESCOc1cc(C)c(CN(C)C(=O)C2(c3cccc(Cl)c3)CCCC2)cc1OC
InChIInChI=1S/C23H28ClNO3/c1-16-12-20(27-3)21(28-4)13-17(16)15-25(2)22(26)23(10-5-6-11-23)18-8-7-9-19(24)14-18/h7-9,12-14H,5-6,10-11,15H2,1-4H3
InChIKeyYYRWGBJRNIYKAS-UHFFFAOYSA-N
MW401.93 g/mol
LogP5.14
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide

1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 112823691) has the molecular formula C23H28ClNO3 and a molecular weight of 401.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
PubChem CID112823691
Molecular FormulaC23H28ClNO3
Molecular Weight401.93 g/mol
Exact Mass401.18
IUPAC Name1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide
SMILESCOc1cc(C)c(CN(C)C(=O)C2(c3cccc(Cl)c3)CCCC2)cc1OC
InChIInChI=1S/C23H28ClNO3/c1-16-12-20(27-3)21(28-4)13-17(16)15-25(2)22(26)23(10-5-6-11-23)18-8-7-9-19(24)14-18/h7-9,12-14H,5-6,10-11,15H2,1-4H3
InChIKeyYYRWGBJRNIYKAS-UHFFFAOYSA-N
XLogP5.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.93
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide (CID 112823691) is 1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide is COc1cc(C)c(CN(C)C(=O)C2(c3cccc(Cl)c3)CCCC2)cc1OC.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is YYRWGBJRNIYKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO3/c1-16-12-20(27-3)21(28-4)13-17(16)15-25(2)22(26)23(10-5-6-11-23)18-8-7-9-19(24)14-18/h7-9,12-14H,5-6,10-11,15H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide?
1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 401.93 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 112823691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).