N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide

C24H19Cl2N3O2 — CID 20952913

About N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide (PubChem CID 20952913) has the molecular formula C24H19Cl2N3O2 and a molecular weight of 452.34 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
• PubChem CID: 20952913
• Molecular Formula: C24H19Cl2N3O2
• Molecular Weight: 452.34 g/mol
• Exact Mass: 451.09
• IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
• SMILES: Cc1ccc(Cl)cc1NC(=O)CN1C(=O)CC(c2ccc(Cl)cc2)=Nc2ccccc21
• InChI: InChI=1S/C24H19Cl2N3O2/c1-15-6-9-18(26)12-20(15)28-23(30)14-29-22-5-3-2-4-19(22)27-21(13-24(29)31)16-7-10-17(25)11-8-16/h2-12H,13-14H2,1H3,(H,28,30)
• InChIKey: FKQPWQKNUCGIMG-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.34
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide?

The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide (CID 20952913) is N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide.

What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide?

The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide is Cc1ccc(Cl)cc1NC(=O)CN1C(=O)CC(c2ccc(Cl)cc2)=Nc2ccccc21.

What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide?

The InChIKey is FKQPWQKNUCGIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O2/c1-15-6-9-18(26)12-20(15)28-23(30)14-29-22-5-3-2-4-19(22)27-21(13-24(29)31)16-7-10-17(25)11-8-16/h2-12H,13-14H2,1H3,(H,28,30).

What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide?

N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide has a molecular weight of 452.34 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methylphenyl)-2-[4-(4-chlorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide is sourced from PubChem (CID 20952913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).