3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one

C25H22ClNO4 — CID 108620483

About 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one

3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108620483) has the molecular formula C25H22ClNO4 and a molecular weight of 435.91 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
• PubChem CID: 108620483
• Molecular Formula: C25H22ClNO4
• Molecular Weight: 435.91 g/mol
• Exact Mass: 435.12
• IUPAC Name: 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
• SMILES: Cc1cccc(C2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C2CCCC2)c1
• InChI: InChI=1S/C25H22ClNO4/c1-14-5-4-6-15(11-14)22-21(24(29)25(30)27(22)18-7-2-3-8-18)23(28)20-13-16-12-17(26)9-10-19(16)31-20/h4-6,9-13,18,22,29H,2-3,7-8H2,1H3
• InChIKey: ZFFJKIPGLWNWST-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 70.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.91
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?

The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one (CID 108620483) is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one.

What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?

The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one is Cc1cccc(C2C(C(=O)c3cc4cc(Cl)ccc4o3)=C(O)C(=O)N2C2CCCC2)c1.

What is the InChIKey of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?

The InChIKey is ZFFJKIPGLWNWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO4/c1-14-5-4-6-15(11-14)22-21(24(29)25(30)27(22)18-7-2-3-8-18)23(28)20-13-16-12-17(26)9-10-19(16)31-20/h4-6,9-13,18,22,29H,2-3,7-8H2,1H3.

What are the key properties of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one?

3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 435.91 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108620483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).