4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide

C24H17F2NO3 — CID 88915641

About 4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide

4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 88915641) has the molecular formula C24H17F2NO3 and a molecular weight of 405.40 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide
• PubChem CID: 88915641
• Molecular Formula: C24H17F2NO3
• Molecular Weight: 405.40 g/mol
• Exact Mass: 405.12
• IUPAC Name: 4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C=O)ccc3C)c(F)c12
• InChI: InChI=1S/C24H17F2NO3/c1-13-3-4-14(12-28)11-18(13)17-9-10-19-20(22(17)26)21(24(29)27-2)23(30-19)15-5-7-16(25)8-6-15/h3-12H,1-2H3,(H,27,29)
• InChIKey: LXEJABZOIWWHJE-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 59.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.40
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide?

The IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide (CID 88915641) is 4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide.

What is the SMILES notation for 4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide?

The canonical SMILES for 4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C=O)ccc3C)c(F)c12.

What is the InChIKey of 4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide?

The InChIKey is LXEJABZOIWWHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2NO3/c1-13-3-4-14(12-28)11-18(13)17-9-10-19-20(22(17)26)21(24(29)27-2)23(30-19)15-5-7-16(25)8-6-15/h3-12H,1-2H3,(H,27,29).

What are the key properties of 4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide?

4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-2-(4-fluorophenyl)-5-(5-formyl-2-methylphenyl)-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 88915641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).