2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide

C31H29ClN2O3 — CID 133236903

IUPAC2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
SMILESCc1ccc(CNC(=O)C(c2ccccc2)N(Cc2ccccc2)C(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C31H29ClN2O3/c1-23-16-18-24(19-17-23)20-33-31(36)30(26-12-6-3-7-13-26)34(21-25-10-4-2-5-11-25)29(35)22-37-28-15-9-8-14-27(28)32/h2-19,30H,20-22H2,1H3,(H,33,36)
InChIKeyCSKOWVYDSVGWFT-UHFFFAOYSA-N
MW513.04 g/mol
LogP6.11
Rot. Bonds10

About 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide

2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide (PubChem CID 133236903) has the molecular formula C31H29ClN2O3 and a molecular weight of 513.04 g/mol. Its IUPAC name is 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
PubChem CID133236903
Molecular FormulaC31H29ClN2O3
Molecular Weight513.04 g/mol
Exact Mass512.19
IUPAC Name2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide
SMILESCc1ccc(CNC(=O)C(c2ccccc2)N(Cc2ccccc2)C(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C31H29ClN2O3/c1-23-16-18-24(19-17-23)20-33-31(36)30(26-12-6-3-7-13-26)34(21-25-10-4-2-5-11-25)29(35)22-37-28-15-9-8-14-27(28)32/h2-19,30H,20-22H2,1H3,(H,33,36)
InChIKeyCSKOWVYDSVGWFT-UHFFFAOYSA-N
XLogP6.11
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 ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-pentyl-2-phenylacetamide
CID 133236921
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133236895
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethyl-2-phenylacetamide
CID 133238520
N-benzyl-2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133214391
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)-2-phenylacetamide
CID 133238532
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]-2-phenylacetamide
CID 133236897
(2S)-2-[[2-(2-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100689050
N-benzyl-2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133236311
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)-2-phenylacetamide
CID 133238530
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132665249
(2S)-2-[[2-(2-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100561797
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132658928

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide (CID 133236903) is 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide is Cc1ccc(CNC(=O)C(c2ccccc2)N(Cc2ccccc2)C(=O)COc2ccccc2Cl)cc1.
What is the InChIKey of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide?
The InChIKey is CSKOWVYDSVGWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClN2O3/c1-23-16-18-24(19-17-23)20-33-31(36)30(26-12-6-3-7-13-26)34(21-25-10-4-2-5-11-25)29(35)22-37-28-15-9-8-14-27(28)32/h2-19,30H,20-22H2,1H3,(H,33,36).
What are the key properties of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide?
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide has a molecular weight of 513.04 g/mol, XLogP of 6.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 133236903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).