2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide

C31H29ClN2O3 — CID 133237216

IUPAC2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
SMILESCOc1ccccc1CNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C31H29ClN2O3/c1-37-28-15-9-8-14-26(28)21-33-31(36)30(25-12-6-3-7-13-25)34(22-24-10-4-2-5-11-24)29(35)20-23-16-18-27(32)19-17-23/h2-19,30H,20-22H2,1H3,(H,33,36)
InChIKeyOTNZQBTWFXEVEM-UHFFFAOYSA-N
MW513.04 g/mol
LogP5.98
Rot. Bonds10

About 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide

2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide (PubChem CID 133237216) has the molecular formula C31H29ClN2O3 and a molecular weight of 513.04 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
PubChem CID133237216
Molecular FormulaC31H29ClN2O3
Molecular Weight513.04 g/mol
Exact Mass512.19
IUPAC Name2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
SMILESCOc1ccccc1CNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C31H29ClN2O3/c1-37-28-15-9-8-14-26(28)21-33-31(36)30(25-12-6-3-7-13-25)34(22-24-10-4-2-5-11-24)29(35)20-23-16-18-27(32)19-17-23/h2-19,30H,20-22H2,1H3,(H,33,36)
InChIKeyOTNZQBTWFXEVEM-UHFFFAOYSA-N
XLogP5.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.04
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237763
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238865
N-[(4-chlorophenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]butanamide
CID 133237635
N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 133237469
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide
CID 133238852
N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]propanamide
CID 133237390
N-[(4-methoxyphenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]butanamide
CID 133238737
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide
CID 133237738
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-methyl-2-phenylacetamide
CID 133237735
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 133149508
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133237698
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 133237484

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide (CID 133237216) is 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide is COc1ccccc1CNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide?
The InChIKey is OTNZQBTWFXEVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClN2O3/c1-37-28-15-9-8-14-26(28)21-33-31(36)30(25-12-6-3-7-13-25)34(22-24-10-4-2-5-11-24)29(35)20-23-16-18-27(32)19-17-23/h2-19,30H,20-22H2,1H3,(H,33,36).
What are the key properties of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide?
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide has a molecular weight of 513.04 g/mol, XLogP of 5.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 133237216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).