2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide

C24H22Cl2N2O2 — CID 71459136

IUPAC2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O2/c1-16-2-8-19(9-3-16)24(27-22(29)14-17-4-10-20(25)11-5-17)28-23(30)15-18-6-12-21(26)13-7-18/h2-13,24H,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyTUILVEAESIDKOI-UHFFFAOYSA-N
MW441.36 g/mol
LogP5.02
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide

2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide (PubChem CID 71459136) has the molecular formula C24H22Cl2N2O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide
PubChem CID71459136
Molecular FormulaC24H22Cl2N2O2
Molecular Weight441.36 g/mol
Exact Mass440.11
IUPAC Name2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O2/c1-16-2-8-19(9-3-16)24(27-22(29)14-17-4-10-20(25)11-5-17)28-23(30)15-18-6-12-21(26)13-7-18/h2-13,24H,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyTUILVEAESIDKOI-UHFFFAOYSA-N
XLogP5.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide (CID 71459136) is 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide is Cc1ccc(C(NC(=O)Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide?
The InChIKey is TUILVEAESIDKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2/c1-16-2-8-19(9-3-16)24(27-22(29)14-17-4-10-20(25)11-5-17)28-23(30)15-18-6-12-21(26)13-7-18/h2-13,24H,14-15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide?
2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide has a molecular weight of 441.36 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 71459136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).