2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide

C19H24Cl3N3O3 — CID 42964405

About 2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide

2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 42964405) has the molecular formula C19H24Cl3N3O3 and a molecular weight of 448.78 g/mol. Its IUPAC name is 2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
• PubChem CID: 42964405
• Molecular Formula: C19H24Cl3N3O3
• Molecular Weight: 448.78 g/mol
• Exact Mass: 447.09
• IUPAC Name: 2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
• SMILES: CCCCCCCC1(C)NC(=O)N(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1=O
• InChI: InChI=1S/C19H24Cl3N3O3/c1-3-4-5-6-7-8-19(2)17(27)25(18(28)24-19)11-15(26)23-16-13(21)9-12(20)10-14(16)22/h9-10H,3-8,11H2,1-2H3,(H,23,26)(H,24,28)
• InChIKey: LBLJODAVHRYENX-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.78
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?

The IUPAC name of 2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide (CID 42964405) is 2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.

What is the SMILES notation for 2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?

The canonical SMILES for 2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide is CCCCCCCC1(C)NC(=O)N(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1=O.

What is the InChIKey of 2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?

The InChIKey is LBLJODAVHRYENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl3N3O3/c1-3-4-5-6-7-8-19(2)17(27)25(18(28)24-19)11-15(26)23-16-13(21)9-12(20)10-14(16)22/h9-10H,3-8,11H2,1-2H3,(H,23,26)(H,24,28).

What are the key properties of 2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?

2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 448.78 g/mol, XLogP of 5.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 42964405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).