3-(1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

C24H15F2NO5 — CID 108659724

About 3-(1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (PubChem CID 108659724) has the molecular formula C24H15F2NO5 and a molecular weight of 435.38 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
• PubChem CID: 108659724
• Molecular Formula: C24H15F2NO5
• Molecular Weight: 435.38 g/mol
• Exact Mass: 435.09
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
• SMILES: Cc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(F)ccc2F)o1
• InChI: InChI=1S/C24H15F2NO5/c1-12-6-9-18(31-12)21-20(22(28)19-10-13-4-2-3-5-17(13)32-19)23(29)24(30)27(21)16-11-14(25)7-8-15(16)26/h2-11,21,29H,1H3
• InChIKey: KKWCCQSBNTZFAZ-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 83.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.38
LogP ≤ 5	5.40
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-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one (CID 108659724) is 3-(1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is Cc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(F)ccc2F)o1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?

The InChIKey is KKWCCQSBNTZFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2NO5/c1-12-6-9-18(31-12)21-20(22(28)19-10-13-4-2-3-5-17(13)32-19)23(29)24(30)27(21)16-11-14(25)7-8-15(16)26/h2-11,21,29H,1H3.

What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one has a molecular weight of 435.38 g/mol, XLogP of 5.40, 4 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-(2,5-difluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 108659724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).