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

C27H19F2NO5 — CID 108674787

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

3-(1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108674787) has the molecular formula C27H19F2NO5 and a molecular weight of 475.45 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
• PubChem CID: 108674787
• Molecular Formula: C27H19F2NO5
• Molecular Weight: 475.45 g/mol
• Exact Mass: 475.12
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
• SMILES: CCOc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1
• InChI: InChI=1S/C27H19F2NO5/c1-2-34-18-10-7-15(8-11-18)24-23(25(31)22-13-16-5-3-4-6-21(16)35-22)26(32)27(33)30(24)17-9-12-19(28)20(29)14-17/h3-14,24,32H,2H2,1H3
• InChIKey: FUVLKFRQWYGPGT-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 79.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.45
LogP ≤ 5	5.89
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-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one (CID 108674787) is 3-(1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one.

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

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one is CCOc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2ccc(F)c(F)c2)cc1.

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

The InChIKey is FUVLKFRQWYGPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2NO5/c1-2-34-18-10-7-15(8-11-18)24-23(25(31)22-13-16-5-3-4-6-21(16)35-22)26(32)27(33)30(24)17-9-12-19(28)20(29)14-17/h3-14,24,32H,2H2,1H3.

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

3-(1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 475.45 g/mol, XLogP of 5.89, 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-(3,4-difluorophenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108674787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).