2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide

C22H25Cl3N2O2 — CID 132718441

About 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide

2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 132718441) has the molecular formula C22H25Cl3N2O2 and a molecular weight of 455.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

• Compound Name: 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
• PubChem CID: 132718441
• Molecular Formula: C22H25Cl3N2O2
• Molecular Weight: 455.81 g/mol
• Exact Mass: 454.10
• IUPAC Name: 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
• SMILES: CC(C)CNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C22H25Cl3N2O2/c1-14(2)12-26-22(29)15(3)27(13-17-6-4-5-7-19(17)24)21(28)10-16-8-9-18(23)11-20(16)25/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,26,29)
• InChIKey: VJWROOOAILKTTF-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.81
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide?

The IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide (CID 132718441) is 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide.

What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide?

The canonical SMILES for 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl.

What is the InChIKey of 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide?

The InChIKey is VJWROOOAILKTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl3N2O2/c1-14(2)12-26-22(29)15(3)27(13-17-6-4-5-7-19(17)24)21(28)10-16-8-9-18(23)11-20(16)25/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,26,29).

What are the key properties of 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide?

2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 455.81 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 132718441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).