3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one

C26H17F3N2O4 — CID 108692672

About 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one (PubChem CID 108692672) has the molecular formula C26H17F3N2O4 and a molecular weight of 478.43 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
• PubChem CID: 108692672
• Molecular Formula: C26H17F3N2O4
• Molecular Weight: 478.43 g/mol
• Exact Mass: 478.11
• IUPAC Name: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one
• SMILES: O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1c1cccnc1)c1cc2ccccc2o1
• InChI: InChI=1S/C26H17F3N2O4/c27-26(28,29)18-8-3-5-15(11-18)14-31-22(17-7-4-10-30-13-17)21(24(33)25(31)34)23(32)20-12-16-6-1-2-9-19(16)35-20/h1-13,22,33H,14H2
• InChIKey: XNOJWHUACXAVNI-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 83.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.43
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one?

The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one (CID 108692672) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one.

What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one?

The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2cccc(C(F)(F)F)c2)C1c1cccnc1)c1cc2ccccc2o1.

What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one?

The InChIKey is XNOJWHUACXAVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N2O4/c27-26(28,29)18-8-3-5-15(11-18)14-31-22(17-7-4-10-30-13-17)21(24(33)25(31)34)23(32)20-12-16-6-1-2-9-19(16)35-20/h1-13,22,33H,14H2.

What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one?

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one has a molecular weight of 478.43 g/mol, XLogP of 5.63, 5 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)-4-hydroxy-2-pyridin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108692672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).