4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

C28H20F3NO5 — CID 108685325

About 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 108685325) has the molecular formula C28H20F3NO5 and a molecular weight of 507.46 g/mol. Its IUPAC name is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
• PubChem CID: 108685325
• Molecular Formula: C28H20F3NO5
• Molecular Weight: 507.46 g/mol
• Exact Mass: 507.13
• IUPAC Name: 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
• SMILES: COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C(F)(F)F)c4)C3c3ccccc3C)oc12
• InChI: InChI=1S/C28H20F3NO5/c1-15-7-3-4-11-19(15)23-22(24(33)21-13-16-8-5-12-20(36-2)26(16)37-21)25(34)27(35)32(23)18-10-6-9-17(14-18)28(29,30)31/h3-14,23,34H,1-2H3
• InChIKey: FCMJFXILMKRUCI-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 79.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.46
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?

The IUPAC name of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (CID 108685325) is 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

What is the SMILES notation for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?

The canonical SMILES for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4cccc(C(F)(F)F)c4)C3c3ccccc3C)oc12.

What is the InChIKey of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?

The InChIKey is FCMJFXILMKRUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3NO5/c1-15-7-3-4-11-19(15)23-22(24(33)21-13-16-8-5-12-20(36-2)26(16)37-21)25(34)27(35)32(23)18-10-6-9-17(14-18)28(29,30)31/h3-14,23,34H,1-2H3.

What are the key properties of 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?

4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 507.46 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108685325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).