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

C23H24FN3O4 — CID 41312570

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

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 41312570) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 41312570
• Molecular Formula: C23H24FN3O4
• Molecular Weight: 425.46 g/mol
• Exact Mass: 425.18
• IUPAC Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3F)C3CC3)C2=O)cc1
• InChI: InChI=1S/C23H24FN3O4/c1-23(16-7-11-18(31-2)12-8-16)21(29)27(22(30)25-23)14-20(28)26(17-9-10-17)13-15-5-3-4-6-19(15)24/h3-8,11-12,17H,9-10,13-14H2,1-2H3,(H,25,30)/t23-/m1/s1
• InChIKey: DEMNVDQXPVIMHO-HSZRJFAPSA-N
• XLogP: 2.79
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.46
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 41312570) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

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

The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(Cc3ccccc3F)C3CC3)C2=O)cc1.

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

The InChIKey is DEMNVDQXPVIMHO-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-23(16-7-11-18(31-2)12-8-16)21(29)27(22(30)25-23)14-20(28)26(17-9-10-17)13-15-5-3-4-6-19(15)24/h3-8,11-12,17H,9-10,13-14H2,1-2H3,(H,25,30)/t23-/m1/s1.

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

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 425.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 41312570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).