N-(2-fluoro-4-iodophenyl)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide

C26H30FIN4O5 — CID 68620558

About N-(2-fluoro-4-iodophenyl)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide

N-(2-fluoro-4-iodophenyl)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide (PubChem CID 68620558) has the molecular formula C26H30FIN4O5 and a molecular weight of 624.45 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide.

Molecular Properties

• Compound Name: N-(2-fluoro-4-iodophenyl)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide
• PubChem CID: 68620558
• Molecular Formula: C26H30FIN4O5
• Molecular Weight: 624.45 g/mol
• Exact Mass: 624.12
• IUPAC Name: N-(2-fluoro-4-iodophenyl)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide
• SMILES: CC(C)C(C(=O)Nc1ccc(I)cc1F)N1C(=O)NC(c2ccc(OCCN3CCOCC3)cc2)C1=O
• InChI: InChI=1S/C26H30FIN4O5/c1-16(2)23(24(33)29-21-8-5-18(28)15-20(21)27)32-25(34)22(30-26(32)35)17-3-6-19(7-4-17)37-14-11-31-9-12-36-13-10-31/h3-8,15-16,22-23H,9-14H2,1-2H3,(H,29,33)(H,30,35)
• InChIKey: LQKJEAMVAXOVCI-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	624.45
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide?

The IUPAC name of N-(2-fluoro-4-iodophenyl)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide (CID 68620558) is N-(2-fluoro-4-iodophenyl)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide.

What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide?

The canonical SMILES for N-(2-fluoro-4-iodophenyl)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide is CC(C)C(C(=O)Nc1ccc(I)cc1F)N1C(=O)NC(c2ccc(OCCN3CCOCC3)cc2)C1=O.

What is the InChIKey of N-(2-fluoro-4-iodophenyl)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide?

The InChIKey is LQKJEAMVAXOVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FIN4O5/c1-16(2)23(24(33)29-21-8-5-18(28)15-20(21)27)32-25(34)22(30-26(32)35)17-3-6-19(7-4-17)37-14-11-31-9-12-36-13-10-31/h3-8,15-16,22-23H,9-14H2,1-2H3,(H,29,33)(H,30,35).

What are the key properties of N-(2-fluoro-4-iodophenyl)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide?

N-(2-fluoro-4-iodophenyl)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide has a molecular weight of 624.45 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-4-iodophenyl)-3-methyl-2-[4-[4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]butanamide is sourced from PubChem (CID 68620558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).