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

C31H27Cl3N2O3 — CID 133238852

IUPAC2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C(C(=O)NCc2ccc(Cl)cc2Cl)c2ccccc2)cc1
InChIInChI=1S/C31H27Cl3N2O3/c1-39-27-15-9-22(10-16-27)20-36(29(37)17-21-7-12-25(32)13-8-21)30(23-5-3-2-4-6-23)31(38)35-19-24-11-14-26(33)18-28(24)34/h2-16,18,30H,17,19-20H2,1H3,(H,35,38)
InChIKeyLVFHVXABUMMXOB-UHFFFAOYSA-N
MW581.93 g/mol
LogP7.28
Rot. Bonds10

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

2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide (PubChem CID 133238852) has the molecular formula C31H27Cl3N2O3 and a molecular weight of 581.93 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide
PubChem CID133238852
Molecular FormulaC31H27Cl3N2O3
Molecular Weight581.93 g/mol
Exact Mass580.11
IUPAC Name2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide
SMILESCOc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C(C(=O)NCc2ccc(Cl)cc2Cl)c2ccccc2)cc1
InChIInChI=1S/C31H27Cl3N2O3/c1-39-27-15-9-22(10-16-27)20-36(29(37)17-21-7-12-25(32)13-8-21)30(23-5-3-2-4-6-23)31(38)35-19-24-11-14-26(33)18-28(24)34/h2-16,18,30H,17,19-20H2,1H3,(H,35,38)
InChIKeyLVFHVXABUMMXOB-UHFFFAOYSA-N
XLogP7.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.93
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238865
2-[[2-[benzyl(methylsulfonyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide
CID 133238405
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237763
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237216
N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237652
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide
CID 133236412
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791
N-[1-[(2,4-dichlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 133236582
N-[(2,4-dichlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 133236648
N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 133237469
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 133238571
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide (CID 133238852) is 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide is COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)C(C(=O)NCc2ccc(Cl)cc2Cl)c2ccccc2)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide?
The InChIKey is LVFHVXABUMMXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27Cl3N2O3/c1-39-27-15-9-22(10-16-27)20-36(29(37)17-21-7-12-25(32)13-8-21)30(23-5-3-2-4-6-23)31(38)35-19-24-11-14-26(33)18-28(24)34/h2-16,18,30H,17,19-20H2,1H3,(H,35,38).
What are the key properties of 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide?
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide has a molecular weight of 581.93 g/mol, XLogP of 7.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 133238852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).