N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C25H21ClFN3O3 — CID 1303497

About N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 1303497) has the molecular formula C25H21ClFN3O3 and a molecular weight of 465.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
• PubChem CID: 1303497
• Molecular Formula: C25H21ClFN3O3
• Molecular Weight: 465.91 g/mol
• Exact Mass: 465.13
• IUPAC Name: N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
• SMILES: Cc1ccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C25H21ClFN3O3/c1-16-2-4-17(5-3-16)15-29-22(14-23(31)28-20-10-6-18(26)7-11-20)24(32)30(25(29)33)21-12-8-19(27)9-13-21/h2-13,22H,14-15H2,1H3,(H,28,31)/t22-/m0/s1
• InChIKey: CJUSTXVCPBRAHS-QFIPXVFZSA-N
• XLogP: 5.15
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.91
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
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 N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 1303497) is N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is Cc1ccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)cc1.

What is the InChIKey of N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

The InChIKey is CJUSTXVCPBRAHS-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H21ClFN3O3/c1-16-2-4-17(5-3-16)15-29-22(14-23(31)28-20-10-6-18(26)7-11-20)24(32)30(25(29)33)21-12-8-19(27)9-13-21/h2-13,22H,14-15H2,1H3,(H,28,31)/t22-/m0/s1.

What are the key properties of N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?

N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 465.91 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 1303497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).