N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

C28H26FIN4O5 — CID 140518952

About N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide

N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (PubChem CID 140518952) has the molecular formula C28H26FIN4O5 and a molecular weight of 644.44 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.

Molecular Properties

• Compound Name: N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
• PubChem CID: 140518952
• Molecular Formula: C28H26FIN4O5
• Molecular Weight: 644.44 g/mol
• Exact Mass: 644.09
• IUPAC Name: N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
• SMILES: CNC(=O)COc1ccc([C@H]2NC(=O)N(C(C(=O)Nc3ccc(I)cc3F)C(C)c3ccccc3)C2=O)cc1
• InChI: InChI=1S/C28H26FIN4O5/c1-16(17-6-4-3-5-7-17)25(26(36)32-22-13-10-19(30)14-21(22)29)34-27(37)24(33-28(34)38)18-8-11-20(12-9-18)39-15-23(35)31-2/h3-14,16,24-25H,15H2,1-2H3,(H,31,35)(H,32,36)(H,33,38)/t16?,24-,25?/m1/s1
• InChIKey: CADFNERKDNMSNA-ZJDFVGHUSA-N
• XLogP: 3.96
• TPSA: 116.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	644.44
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

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-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The IUPAC name of N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide (CID 140518952) is N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide.

What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The canonical SMILES for N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is CNC(=O)COc1ccc([C@H]2NC(=O)N(C(C(=O)Nc3ccc(I)cc3F)C(C)c3ccccc3)C2=O)cc1.

What is the InChIKey of N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

The InChIKey is CADFNERKDNMSNA-ZJDFVGHUSA-N. The full InChI is InChI=1S/C28H26FIN4O5/c1-16(17-6-4-3-5-7-17)25(26(36)32-22-13-10-19(30)14-21(22)29)34-27(37)24(33-28(34)38)18-8-11-20(12-9-18)39-15-23(35)31-2/h3-14,16,24-25H,15H2,1-2H3,(H,31,35)(H,32,36)(H,33,38)/t16?,24-,25?/m1/s1.

What are the key properties of N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide?

N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide has a molecular weight of 644.44 g/mol, XLogP of 3.96, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide is sourced from PubChem (CID 140518952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).