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

C26H20ClNO6 — CID 108608229

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

3-(5-chloro-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-2H-pyrrol-5-one (PubChem CID 108608229) has the molecular formula C26H20ClNO6 and a molecular weight of 477.90 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(5-chloro-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-2H-pyrrol-5-one
• PubChem CID: 108608229
• Molecular Formula: C26H20ClNO6
• Molecular Weight: 477.90 g/mol
• Exact Mass: 477.10
• IUPAC Name: 3-(5-chloro-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-2H-pyrrol-5-one
• SMILES: COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)C2c2ccco2)cc1
• InChI: InChI=1S/C26H20ClNO6/c1-32-18-7-4-15(5-8-18)10-11-28-23(20-3-2-12-33-20)22(25(30)26(28)31)24(29)21-14-16-13-17(27)6-9-19(16)34-21/h2-9,12-14,23,30H,10-11H2,1H3
• InChIKey: IHKJMTBICKPMDS-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 93.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.90
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-2H-pyrrol-5-one (CID 108608229) is 3-(5-chloro-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-2H-pyrrol-5-one.

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

The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-2H-pyrrol-5-one is COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3cc4cc(Cl)ccc4o3)C2c2ccco2)cc1.

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

The InChIKey is IHKJMTBICKPMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClNO6/c1-32-18-7-4-15(5-8-18)10-11-28-23(20-3-2-12-33-20)22(25(30)26(28)31)24(29)21-14-16-13-17(27)6-9-19(16)34-21/h2-9,12-14,23,30H,10-11H2,1H3.

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

3-(5-chloro-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-2H-pyrrol-5-one has a molecular weight of 477.90 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108608229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).