3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide

C23H23FIN3O5 — CID 68618919

About 3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide

3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide (PubChem CID 68618919) has the molecular formula C23H23FIN3O5 and a molecular weight of 567.36 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide
• PubChem CID: 68618919
• Molecular Formula: C23H23FIN3O5
• Molecular Weight: 567.36 g/mol
• Exact Mass: 567.07
• IUPAC Name: 3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide
• SMILES: O=C(Nc1ccc(I)cc1F)C(CC1CC1)N1C(=O)NC(c2ccc(OCCO)cc2)C1=O
• InChI: InChI=1S/C23H23FIN3O5/c24-17-12-15(25)5-8-18(17)26-21(30)19(11-13-1-2-13)28-22(31)20(27-23(28)32)14-3-6-16(7-4-14)33-10-9-29/h3-8,12-13,19-20,29H,1-2,9-11H2,(H,26,30)(H,27,32)
• InChIKey: XCPINEIHLQIOPZ-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.36
LogP ≤ 5	3.20
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 3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide?

The IUPAC name of 3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide (CID 68618919) is 3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide.

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

The canonical SMILES for 3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide is O=C(Nc1ccc(I)cc1F)C(CC1CC1)N1C(=O)NC(c2ccc(OCCO)cc2)C1=O.

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

The InChIKey is XCPINEIHLQIOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FIN3O5/c24-17-12-15(25)5-8-18(17)26-21(30)19(11-13-1-2-13)28-22(31)20(27-23(28)32)14-3-6-16(7-4-14)33-10-9-29/h3-8,12-13,19-20,29H,1-2,9-11H2,(H,26,30)(H,27,32).

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

3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide has a molecular weight of 567.36 g/mol, XLogP of 3.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide is sourced from PubChem (CID 68618919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).