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

C27H25FIN3O5 — CID 140518937

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

N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide (PubChem CID 140518937) has the molecular formula C27H25FIN3O5 and a molecular weight of 617.42 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide.

Molecular Properties

• Compound Name: N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide
• PubChem CID: 140518937
• Molecular Formula: C27H25FIN3O5
• Molecular Weight: 617.42 g/mol
• Exact Mass: 617.08
• IUPAC Name: N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide
• SMILES: O=C(Nc1ccc(I)cc1F)C(CCc1ccccc1)N1C(=O)N[C@H](c2ccc(OCCO)cc2)C1=O
• InChI: InChI=1S/C27H25FIN3O5/c28-21-16-19(29)9-12-22(21)30-25(34)23(13-6-17-4-2-1-3-5-17)32-26(35)24(31-27(32)36)18-7-10-20(11-8-18)37-15-14-33/h1-5,7-12,16,23-24,33H,6,13-15H2,(H,30,34)(H,31,36)/t23?,24-/m1/s1
• InChIKey: XNEIABMOEUMHRA-XMMISQBUSA-N
• XLogP: 4.03
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.42
LogP ≤ 5	4.03
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-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide?

The IUPAC name of N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide (CID 140518937) is N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide.

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

The canonical SMILES for N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide is O=C(Nc1ccc(I)cc1F)C(CCc1ccccc1)N1C(=O)N[C@H](c2ccc(OCCO)cc2)C1=O.

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

The InChIKey is XNEIABMOEUMHRA-XMMISQBUSA-N. The full InChI is InChI=1S/C27H25FIN3O5/c28-21-16-19(29)9-12-22(21)30-25(34)23(13-6-17-4-2-1-3-5-17)32-26(35)24(31-27(32)36)18-7-10-20(11-8-18)37-15-14-33/h1-5,7-12,16,23-24,33H,6,13-15H2,(H,30,34)(H,31,36)/t23?,24-/m1/s1.

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

N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide has a molecular weight of 617.42 g/mol, XLogP of 4.03, 10 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-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide is sourced from PubChem (CID 140518937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).