3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one

C26H18FNO4 — CID 108644727

About 3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108644727) has the molecular formula C26H18FNO4 and a molecular weight of 427.43 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
• PubChem CID: 108644727
• Molecular Formula: C26H18FNO4
• Molecular Weight: 427.43 g/mol
• Exact Mass: 427.12
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
• SMILES: Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccccc2F)c1
• InChI: InChI=1S/C26H18FNO4/c1-15-7-6-9-17(13-15)28-23(18-10-3-4-11-19(18)27)22(25(30)26(28)31)24(29)21-14-16-8-2-5-12-20(16)32-21/h2-14,23,30H,1H3
• InChIKey: PAGHCUAKBSGGTP-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 70.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.43
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one (CID 108644727) is 3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one is Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)C2c2ccccc2F)c1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one?

The InChIKey is PAGHCUAKBSGGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FNO4/c1-15-7-6-9-17(13-15)28-23(18-10-3-4-11-19(18)27)22(25(30)26(28)31)24(29)21-14-16-8-2-5-12-20(16)32-21/h2-14,23,30H,1H3.

What are the key properties of 3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 427.43 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108644727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).