2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide

C31H28Cl2N2O2 — CID 133214167

IUPAC2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
SMILESO=C(NCc1ccccc1Cl)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C31H28Cl2N2O2/c32-27-17-15-24(16-18-27)20-30(36)35(22-25-11-5-2-6-12-25)29(19-23-9-3-1-4-10-23)31(37)34-21-26-13-7-8-14-28(26)33/h1-18,29H,19-22H2,(H,34,37)
InChIKeyRMWWUHDQWXSFPR-UHFFFAOYSA-N
MW531.48 g/mol
LogP6.49
Rot. Bonds10

About 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide

2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide (PubChem CID 133214167) has the molecular formula C31H28Cl2N2O2 and a molecular weight of 531.48 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
PubChem CID133214167
Molecular FormulaC31H28Cl2N2O2
Molecular Weight531.48 g/mol
Exact Mass530.15
IUPAC Name2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
SMILESO=C(NCc1ccccc1Cl)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C31H28Cl2N2O2/c32-27-17-15-24(16-18-27)20-30(36)35(22-25-11-5-2-6-12-25)29(19-23-9-3-1-4-10-23)31(37)34-21-26-13-7-8-14-28(26)33/h1-18,29H,19-22H2,(H,34,37)
InChIKeyRMWWUHDQWXSFPR-UHFFFAOYSA-N
XLogP6.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.48
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133214684
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133215150
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-methylbutyl)-3-phenylpropanamide
CID 133214644
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152610
N-butyl-2-[[2-(2-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133258771
2-[(4-chlorophenyl)methyl-[2-(2,6-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172208
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 133213881
(2S)-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-cyclopentyl-3-phenylpropanamide
CID 100504223
(2R)-N-butyl-2-[(4-chlorophenyl)methyl-[2-(2,6-dichlorophenyl)acetyl]amino]-3-phenylpropanamide
CID 100641892
(2S)-N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100603449
2-[(4-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-3-phenyl-N-propylpropanamide
CID 132618944
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100603817

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide (CID 133214167) is 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide is O=C(NCc1ccccc1Cl)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
The InChIKey is RMWWUHDQWXSFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28Cl2N2O2/c32-27-17-15-24(16-18-27)20-30(36)35(22-25-11-5-2-6-12-25)29(19-23-9-3-1-4-10-23)31(37)34-21-26-13-7-8-14-28(26)33/h1-18,29H,19-22H2,(H,34,37).
What are the key properties of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide has a molecular weight of 531.48 g/mol, XLogP of 6.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 133214167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).