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

C26H18FNO5 — CID 108576998

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

3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108576998) has the molecular formula C26H18FNO5 and a molecular weight of 443.43 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
• PubChem CID: 108576998
• Molecular Formula: C26H18FNO5
• Molecular Weight: 443.43 g/mol
• Exact Mass: 443.12
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
• SMILES: COc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(F)c2)c1
• InChI: InChI=1S/C26H18FNO5/c1-32-19-10-4-7-16(12-19)23-22(24(29)21-13-15-6-2-3-11-20(15)33-21)25(30)26(31)28(23)18-9-5-8-17(27)14-18/h2-14,23,30H,1H3
• InChIKey: OUICNLOPWRJRCO-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 79.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.43
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one (CID 108576998) is 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one.

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

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one is COc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cccc(F)c2)c1.

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

The InChIKey is OUICNLOPWRJRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FNO5/c1-32-19-10-4-7-16(12-19)23-22(24(29)21-13-15-6-2-3-11-20(15)33-21)25(30)26(31)28(23)18-9-5-8-17(27)14-18/h2-14,23,30H,1H3.

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

3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 443.43 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108576998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).