2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide

C34H35ClN2O2 — CID 133247810

IUPAC2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide
SMILESO=C(NC1CCCC1)C(Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C34H35ClN2O2/c35-31-20-9-5-14-28(31)24-37(33(38)22-21-27-16-10-15-26-13-4-8-19-30(26)27)32(23-25-11-2-1-3-12-25)34(39)36-29-17-6-7-18-29/h1-5,8-16,19-20,29,32H,6-7,17-18,21-24H2,(H,36,39)
InChIKeyPIGZYQDWVBORAV-UHFFFAOYSA-N
MW539.12 g/mol
LogP7.12
Rot. Bonds10

About 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide

2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide (PubChem CID 133247810) has the molecular formula C34H35ClN2O2 and a molecular weight of 539.12 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide
PubChem CID133247810
Molecular FormulaC34H35ClN2O2
Molecular Weight539.12 g/mol
Exact Mass538.24
IUPAC Name2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide
SMILESO=C(NC1CCCC1)C(Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C34H35ClN2O2/c35-31-20-9-5-14-28(31)24-37(33(38)22-21-27-16-10-15-26-13-4-8-19-30(26)27)32(23-25-11-2-1-3-12-25)34(39)36-29-17-6-7-18-29/h1-5,8-16,19-20,29,32H,6-7,17-18,21-24H2,(H,36,39)
InChIKeyPIGZYQDWVBORAV-UHFFFAOYSA-N
XLogP7.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.12
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide
CID 100542809
2-[(2-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247793
(2S)-2-[(2-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100594261
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100542572
2-[3-(2-chlorophenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133261230
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(2-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100580217
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(2-fluorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100611248
2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247720
N-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide
CID 133148049
(2R)-2-[(2-chlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100594100
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide
CID 133247823
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100621411

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide (CID 133247810) is 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide is O=C(NC1CCCC1)C(Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide?
The InChIKey is PIGZYQDWVBORAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClN2O2/c35-31-20-9-5-14-28(31)24-37(33(38)22-21-27-16-10-15-26-13-4-8-19-30(26)27)32(23-25-11-2-1-3-12-25)34(39)36-29-17-6-7-18-29/h1-5,8-16,19-20,29,32H,6-7,17-18,21-24H2,(H,36,39).
What are the key properties of 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide?
2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide has a molecular weight of 539.12 g/mol, XLogP of 7.12, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide is sourced from PubChem (CID 133247810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).