N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide

C30H31ClN2O2 — CID 69351119

IUPACN-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide
SMILESCOc1ccc(N(CC(Cc2ccc(Cl)cc2)Cc2cccc(C#N)c2)C(=O)C2CCCC2)cc1
InChIInChI=1S/C30H31ClN2O2/c1-35-29-15-13-28(14-16-29)33(30(34)26-7-2-3-8-26)21-25(17-22-9-11-27(31)12-10-22)19-23-5-4-6-24(18-23)20-32/h4-6,9-16,18,25-26H,2-3,7-8,17,19,21H2,1H3
InChIKeyCNXPDKMHNWZKLD-UHFFFAOYSA-N
MW487.04 g/mol
LogP6.85
Rot. Bonds9

About N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide

N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide (PubChem CID 69351119) has the molecular formula C30H31ClN2O2 and a molecular weight of 487.04 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide
PubChem CID69351119
Molecular FormulaC30H31ClN2O2
Molecular Weight487.04 g/mol
Exact Mass486.21
IUPAC NameN-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide
SMILESCOc1ccc(N(CC(Cc2ccc(Cl)cc2)Cc2cccc(C#N)c2)C(=O)C2CCCC2)cc1
InChIInChI=1S/C30H31ClN2O2/c1-35-29-15-13-28(14-16-29)33(30(34)26-7-2-3-8-26)21-25(17-22-9-11-27(31)12-10-22)19-23-5-4-6-24(18-23)20-32/h4-6,9-16,18,25-26H,2-3,7-8,17,19,21H2,1H3
InChIKeyCNXPDKMHNWZKLD-UHFFFAOYSA-N
XLogP6.85
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.04
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide (CID 69351119) is N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide is COc1ccc(N(CC(Cc2ccc(Cl)cc2)Cc2cccc(C#N)c2)C(=O)C2CCCC2)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide?
The InChIKey is CNXPDKMHNWZKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN2O2/c1-35-29-15-13-28(14-16-29)33(30(34)26-7-2-3-8-26)21-25(17-22-9-11-27(31)12-10-22)19-23-5-4-6-24(18-23)20-32/h4-6,9-16,18,25-26H,2-3,7-8,17,19,21H2,1H3.
What are the key properties of N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide?
N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide has a molecular weight of 487.04 g/mol, XLogP of 6.85, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methyl]-3-(3-cyanophenyl)propyl]-N-(4-methoxyphenyl)cyclopentanecarboxamide is sourced from PubChem (CID 69351119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).