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

C24H22Cl2N2O3 — CID 71462668

IUPAC2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-31-21-12-6-18(7-13-21)24(27-22(29)14-16-2-8-19(25)9-3-16)28-23(30)15-17-4-10-20(26)11-5-17/h2-13,24H,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyNECWYJYYSPOXIH-UHFFFAOYSA-N
MW457.36 g/mol
LogP4.72
Rot. Bonds8

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

2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methoxyphenyl)methyl]acetamide (PubChem CID 71462668) has the molecular formula C24H22Cl2N2O3 and a molecular weight of 457.36 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methoxyphenyl)methyl]acetamide
PubChem CID71462668
Molecular FormulaC24H22Cl2N2O3
Molecular Weight457.36 g/mol
Exact Mass456.10
IUPAC Name2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-31-21-12-6-18(7-13-21)24(27-22(29)14-16-2-8-19(25)9-3-16)28-23(30)15-17-4-10-20(26)11-5-17/h2-13,24H,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyNECWYJYYSPOXIH-UHFFFAOYSA-N
XLogP4.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.36
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methoxyphenyl)methyl]acetamide (CID 71462668) is 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methoxyphenyl)methyl]acetamide is COc1ccc(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-methoxyphenyl)methyl]acetamide?
The InChIKey is NECWYJYYSPOXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3/c1-31-21-12-6-18(7-13-21)24(27-22(29)14-16-2-8-19(25)9-3-16)28-23(30)15-17-4-10-20(26)11-5-17/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-methoxyphenyl)methyl]acetamide?
2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methoxyphenyl)methyl]acetamide has a molecular weight of 457.36 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[[2-(4-chlorophenyl)acetyl]amino]-(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 71462668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).