2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide

C27H31ClN2O2 — CID 132717143

IUPAC2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C27H31ClN2O2/c1-19(2)17-29-27(32)20(3)30(18-23-10-5-7-14-25(23)28)26(31)16-15-22-12-8-11-21-9-4-6-13-24(21)22/h4-14,19-20H,15-18H2,1-3H3,(H,29,32)
InChIKeyMQJGHNCDWYJRFR-UHFFFAOYSA-N
MW451.01 g/mol
LogP5.62
Rot. Bonds9

About 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide

2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 132717143) has the molecular formula C27H31ClN2O2 and a molecular weight of 451.01 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID132717143
Molecular FormulaC27H31ClN2O2
Molecular Weight451.01 g/mol
Exact Mass450.21
IUPAC Name2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C27H31ClN2O2/c1-19(2)17-29-27(32)20(3)30(18-23-10-5-7-14-25(23)28)26(31)16-15-22-12-8-11-21-9-4-6-13-24(21)22/h4-14,19-20H,15-18H2,1-3H3,(H,29,32)
InChIKeyMQJGHNCDWYJRFR-UHFFFAOYSA-N
XLogP5.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.01
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide 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-tert-butyl-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132717149
(2S)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 100557658
2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide
CID 132708058
2-[(2-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethylpropanamide
CID 132662949
2-[(4-bromophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-(2-methylpropyl)propanamide
CID 133211862
2-[(2-chlorophenyl)methyl-[3-(4-chlorophenyl)sulfanylpropanoyl]amino]-N-(2-methylpropyl)propanamide
CID 132721684
2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133212215
2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 132705911
2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132718441
(2S)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 100582982
2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide
CID 132656033
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132620793

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide (CID 132717143) is 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is MQJGHNCDWYJRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O2/c1-19(2)17-29-27(32)20(3)30(18-23-10-5-7-14-25(23)28)26(31)16-15-22-12-8-11-21-9-4-6-13-24(21)22/h4-14,19-20H,15-18H2,1-3H3,(H,29,32).
What are the key properties of 2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide?
2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 451.01 g/mol, XLogP of 5.62, 9 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 132717143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).