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

C25H21FIN3O4 — CID 68619325

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

N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide (PubChem CID 68619325) has the molecular formula C25H21FIN3O4 and a molecular weight of 573.36 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
• PubChem CID: 68619325
• Molecular Formula: C25H21FIN3O4
• Molecular Weight: 573.36 g/mol
• Exact Mass: 573.06
• IUPAC Name: N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
• SMILES: COc1ccc(C2NC(=O)N(C(Cc3ccccc3)C(=O)Nc3ccc(I)cc3F)C2=O)cc1
• InChI: InChI=1S/C25H21FIN3O4/c1-34-18-10-7-16(8-11-18)22-24(32)30(25(33)29-22)21(13-15-5-3-2-4-6-15)23(31)28-20-12-9-17(27)14-19(20)26/h2-12,14,21-22H,13H2,1H3,(H,28,31)(H,29,33)
• InChIKey: NFZHAMFJASIPPT-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.36
LogP ≤ 5	4.28
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-phenylpropanamide?

The IUPAC name of N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide (CID 68619325) is N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide.

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

The canonical SMILES for N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide is COc1ccc(C2NC(=O)N(C(Cc3ccccc3)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-phenylpropanamide?

The InChIKey is NFZHAMFJASIPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FIN3O4/c1-34-18-10-7-16(8-11-18)22-24(32)30(25(33)29-22)21(13-15-5-3-2-4-6-15)23(31)28-20-12-9-17(27)14-19(20)26/h2-12,14,21-22H,13H2,1H3,(H,28,31)(H,29,33).

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

N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide has a molecular weight of 573.36 g/mol, XLogP of 4.28, 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-phenylpropanamide is sourced from PubChem (CID 68619325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).