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

C23H16F3NO4 — CID 108670553

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

3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 108670553) has the molecular formula C23H16F3NO4 and a molecular weight of 427.38 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
• PubChem CID: 108670553
• Molecular Formula: C23H16F3NO4
• Molecular Weight: 427.38 g/mol
• Exact Mass: 427.10
• IUPAC Name: 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
• SMILES: Cc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1
• InChI: InChI=1S/C23H16F3NO4/c1-13-4-2-5-14(12-13)19-18(20(28)17-6-3-11-31-17)21(29)22(30)27(19)16-9-7-15(8-10-16)23(24,25)26/h2-12,19,29H,1H3
• InChIKey: AOYVPEQCFHDXLF-UHFFFAOYSA-N
• XLogP: 5.39
• 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	427.38
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (CID 108670553) is 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

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

The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is Cc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C(F)(F)F)cc2)c1.

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

The InChIKey is AOYVPEQCFHDXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO4/c1-13-4-2-5-14(12-13)19-18(20(28)17-6-3-11-31-17)21(29)22(30)27(19)16-9-7-15(8-10-16)23(24,25)26/h2-12,19,29H,1H3.

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

3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 427.38 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108670553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).