2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide

C24H30Cl2N2O2 — CID 132716598

About 2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide

2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 132716598) has the molecular formula C24H30Cl2N2O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

• Compound Name: 2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
• PubChem CID: 132716598
• Molecular Formula: C24H30Cl2N2O2
• Molecular Weight: 449.42 g/mol
• Exact Mass: 448.17
• IUPAC Name: 2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
• SMILES: Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C(=O)NCC(C)C)c1
• InChI: InChI=1S/C24H30Cl2N2O2/c1-15(2)13-27-24(30)18(5)28(14-19-8-9-21(25)12-22(19)26)23(29)11-20-10-16(3)6-7-17(20)4/h6-10,12,15,18H,11,13-14H2,1-5H3,(H,27,30)
• InChIKey: QBLAYZZSDFNVNT-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.42
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide?

The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide (CID 132716598) is 2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide.

What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide?

The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide is Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C(=O)NCC(C)C)c1.

What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide?

The InChIKey is QBLAYZZSDFNVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O2/c1-15(2)13-27-24(30)18(5)28(14-19-8-9-21(25)12-22(19)26)23(29)11-20-10-16(3)6-7-17(20)4/h6-10,12,15,18H,11,13-14H2,1-5H3,(H,27,30).

What are the key properties of 2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide?

2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 449.42 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 132716598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).