3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one

C25H18ClNO5 — CID 108608274

About 3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108608274) has the molecular formula C25H18ClNO5 and a molecular weight of 447.87 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
• PubChem CID: 108608274
• Molecular Formula: C25H18ClNO5
• Molecular Weight: 447.87 g/mol
• Exact Mass: 447.09
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
• SMILES: O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)C1c1ccco1)c1cc2ccccc2o1
• InChI: InChI=1S/C25H18ClNO5/c26-17-9-7-15(8-10-17)11-12-27-22(19-6-3-13-31-19)21(24(29)25(27)30)23(28)20-14-16-4-1-2-5-18(16)32-20/h1-10,13-14,22,29H,11-12H2
• InChIKey: ZSBRVACXMFKZKZ-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 83.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.87
LogP ≤ 5	5.50
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-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (CID 108608274) is 3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCc2ccc(Cl)cc2)C1c1ccco1)c1cc2ccccc2o1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?

The InChIKey is ZSBRVACXMFKZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO5/c26-17-9-7-15(8-10-17)11-12-27-22(19-6-3-13-31-19)21(24(29)25(27)30)23(28)20-14-16-4-1-2-5-18(16)32-20/h1-10,13-14,22,29H,11-12H2.

What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 447.87 g/mol, XLogP of 5.50, 6 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-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108608274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).