2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide

C23H23BrFN3O3 — CID 52910073

About 2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide

2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide (PubChem CID 52910073) has the molecular formula C23H23BrFN3O3 and a molecular weight of 488.36 g/mol. Its IUPAC name is 2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide
• PubChem CID: 52910073
• Molecular Formula: C23H23BrFN3O3
• Molecular Weight: 488.36 g/mol
• Exact Mass: 487.09
• IUPAC Name: 2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide
• SMILES: Cc1ccc([C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3Br)C2=O)C2CC2)cc1
• InChI: InChI=1S/C23H23BrFN3O3/c1-13-3-5-14(6-4-13)20(15-7-8-15)26-19(29)12-28-21(30)23(2,27-22(28)31)17-10-9-16(25)11-18(17)24/h3-6,9-11,15,20H,7-8,12H2,1-2H3,(H,26,29)(H,27,31)/t20-,23+/m0/s1
• InChIKey: YZECHEKTGZVSHI-NZQKXSOJSA-N
• XLogP: 3.93
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.36
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide?

The IUPAC name of 2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide (CID 52910073) is 2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide.

What is the SMILES notation for 2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide?

The canonical SMILES for 2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide is Cc1ccc([C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3Br)C2=O)C2CC2)cc1.

What is the InChIKey of 2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide?

The InChIKey is YZECHEKTGZVSHI-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H23BrFN3O3/c1-13-3-5-14(6-4-13)20(15-7-8-15)26-19(29)12-28-21(30)23(2,27-22(28)31)17-10-9-16(25)11-18(17)24/h3-6,9-11,15,20H,7-8,12H2,1-2H3,(H,26,29)(H,27,31)/t20-,23+/m0/s1.

What are the key properties of 2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide?

2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide has a molecular weight of 488.36 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-(2-bromo-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-cyclopropyl-(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 52910073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).