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

C31H28Cl2N2O3 — CID 133213881

IUPAC2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
SMILESO=C(NCc1ccccc1Cl)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl
InChIInChI=1S/C31H28Cl2N2O3/c32-26-16-8-7-15-25(26)20-34-31(37)28(19-23-11-3-1-4-12-23)35(21-24-13-5-2-6-14-24)30(36)22-38-29-18-10-9-17-27(29)33/h1-18,28H,19-22H2,(H,34,37)
InChIKeyAZKXJOZRTQKVGJ-UHFFFAOYSA-N
MW547.48 g/mol
LogP6.33
Rot. Bonds11

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

2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide (PubChem CID 133213881) has the molecular formula C31H28Cl2N2O3 and a molecular weight of 547.48 g/mol. Its IUPAC name is 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
PubChem CID133213881
Molecular FormulaC31H28Cl2N2O3
Molecular Weight547.48 g/mol
Exact Mass546.15
IUPAC Name2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
SMILESO=C(NCc1ccccc1Cl)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl
InChIInChI=1S/C31H28Cl2N2O3/c32-26-16-8-7-15-25(26)20-34-31(37)28(19-23-11-3-1-4-12-23)35(21-24-13-5-2-6-14-24)30(36)22-38-29-18-10-9-17-27(29)33/h1-18,28H,19-22H2,(H,34,37)
InChIKeyAZKXJOZRTQKVGJ-UHFFFAOYSA-N
XLogP6.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.48
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133214391
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 133236167
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 133213879
2-[[2-(2-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133214912
N-benzyl-2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133236311
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide
CID 133213876
(2S)-2-[[2-(2-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100689050
2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenyl-N-prop-2-enylpropanamide
CID 133214311
2-[(4-bromophenyl)methyl-[2-(2-chlorophenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132621594
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 133214167
2-[[2-(2-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-prop-2-enylpropanamide
CID 133214850
2-[(2-chlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132618663

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
The IUPAC name of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide (CID 133213881) is 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide is O=C(NCc1ccccc1Cl)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl.
What is the InChIKey of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
The InChIKey is AZKXJOZRTQKVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28Cl2N2O3/c32-26-16-8-7-15-25(26)20-34-31(37)28(19-23-11-3-1-4-12-23)35(21-24-13-5-2-6-14-24)30(36)22-38-29-18-10-9-17-27(29)33/h1-18,28H,19-22H2,(H,34,37).
What are the key properties of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide?
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide has a molecular weight of 547.48 g/mol, XLogP of 6.33, 11 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-[(2-chlorophenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 133213881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).