3-(5-bromo-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one

C24H16BrNO5 — CID 108653797

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

3-(5-bromo-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108653797) has the molecular formula C24H16BrNO5 and a molecular weight of 478.30 g/mol. Its IUPAC name is 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
• PubChem CID: 108653797
• Molecular Formula: C24H16BrNO5
• Molecular Weight: 478.30 g/mol
• Exact Mass: 477.02
• IUPAC Name: 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
• SMILES: Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Br)ccc4o3)C2c2ccco2)c1
• InChI: InChI=1S/C24H16BrNO5/c1-13-4-2-5-16(10-13)26-21(18-6-3-9-30-18)20(23(28)24(26)29)22(27)19-12-14-11-15(25)7-8-17(14)31-19/h2-12,21,28H,1H3
• InChIKey: OQWTWWBHIJKATJ-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 83.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.30
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one (CID 108653797) is 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one.

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

The canonical SMILES for 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one is Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cc4cc(Br)ccc4o3)C2c2ccco2)c1.

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

The InChIKey is OQWTWWBHIJKATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrNO5/c1-13-4-2-5-16(10-13)26-21(18-6-3-9-30-18)20(23(28)24(26)29)22(27)19-12-14-11-15(25)7-8-17(14)31-19/h2-12,21,28H,1H3.

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

3-(5-bromo-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 478.30 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108653797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).