N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C25H17F2I2N3O4 — CID 126218964

About N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 126218964) has the molecular formula C25H17F2I2N3O4 and a molecular weight of 715.23 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 126218964
• Molecular Formula: C25H17F2I2N3O4
• Molecular Weight: 715.23 g/mol
• Exact Mass: 714.93
• IUPAC Name: N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: O=C(CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C1=O)Nc1ccccc1F
• InChI: InChI=1S/C25H17F2I2N3O4/c26-16-7-5-14(6-8-16)13-36-23-18(28)9-15(10-19(23)29)11-21-24(34)32(25(35)31-21)12-22(33)30-20-4-2-1-3-17(20)27/h1-11H,12-13H2,(H,30,33)(H,31,35)/b21-11+
• InChIKey: QVLLDFWCMCBFOT-SRZZPIQSSA-N
• XLogP: 5.28
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.23
LogP ≤ 5	5.28
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 126218964) is N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is O=C(CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C1=O)Nc1ccccc1F.

What is the InChIKey of N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is QVLLDFWCMCBFOT-SRZZPIQSSA-N. The full InChI is InChI=1S/C25H17F2I2N3O4/c26-16-7-5-14(6-8-16)13-36-23-18(28)9-15(10-19(23)29)11-21-24(34)32(25(35)31-21)12-22(33)30-20-4-2-1-3-17(20)27/h1-11H,12-13H2,(H,30,33)(H,31,35)/b21-11+.

What are the key properties of N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?

N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 715.23 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-fluorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 126218964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).