3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one

C25H15Br2NO4 — CID 108687409

About 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one

3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one (PubChem CID 108687409) has the molecular formula C25H15Br2NO4 and a molecular weight of 553.21 g/mol. Its IUPAC name is 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one
• PubChem CID: 108687409
• Molecular Formula: C25H15Br2NO4
• Molecular Weight: 553.21 g/mol
• Exact Mass: 550.94
• IUPAC Name: 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one
• SMILES: O=C(C1=C(O)C(=O)N(c2ccccc2)C1c1ccc(Br)cc1)c1cc2cc(Br)ccc2o1
• InChI: InChI=1S/C25H15Br2NO4/c26-16-8-6-14(7-9-16)22-21(24(30)25(31)28(22)18-4-2-1-3-5-18)23(29)20-13-15-12-17(27)10-11-19(15)32-20/h1-13,22,30H
• InChIKey: DYMBLGWTFXZSHT-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 70.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.21
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one (CID 108687409) is 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one.

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

The canonical SMILES for 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ccccc2)C1c1ccc(Br)cc1)c1cc2cc(Br)ccc2o1.

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

The InChIKey is DYMBLGWTFXZSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Br2NO4/c26-16-8-6-14(7-9-16)22-21(24(30)25(31)28(22)18-4-2-1-3-5-18)23(29)20-13-15-12-17(27)10-11-19(15)32-20/h1-13,22,30H.

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

3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one has a molecular weight of 553.21 g/mol, XLogP of 6.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 108687409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).