N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide

C26H23FIN3O4 — CID 68620190

About N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide

N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide (PubChem CID 68620190) has the molecular formula C26H23FIN3O4 and a molecular weight of 587.39 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide.

Molecular Properties

• Compound Name: N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide
• PubChem CID: 68620190
• Molecular Formula: C26H23FIN3O4
• Molecular Weight: 587.39 g/mol
• Exact Mass: 587.07
• IUPAC Name: N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide
• SMILES: COc1ccc(C2NC(=O)N(C(Cc3ccc(C)cc3)C(=O)Nc3ccc(I)cc3F)C2=O)cc1
• InChI: InChI=1S/C26H23FIN3O4/c1-15-3-5-16(6-4-15)13-22(24(32)29-21-12-9-18(28)14-20(21)27)31-25(33)23(30-26(31)34)17-7-10-19(35-2)11-8-17/h3-12,14,22-23H,13H2,1-2H3,(H,29,32)(H,30,34)
• InChIKey: WYXLVQJSFQMVLM-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.39
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide?

The IUPAC name of N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide (CID 68620190) is N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide.

What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide?

The canonical SMILES for N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide is COc1ccc(C2NC(=O)N(C(Cc3ccc(C)cc3)C(=O)Nc3ccc(I)cc3F)C2=O)cc1.

What is the InChIKey of N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide?

The InChIKey is WYXLVQJSFQMVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FIN3O4/c1-15-3-5-16(6-4-15)13-22(24(32)29-21-12-9-18(28)14-20(21)27)31-25(33)23(30-26(31)34)17-7-10-19(35-2)11-8-17/h3-12,14,22-23H,13H2,1-2H3,(H,29,32)(H,30,34).

What are the key properties of N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide?

N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide has a molecular weight of 587.39 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 68620190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).