(4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione

C24H19F2NO4 — CID 108659628

About (4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione

(4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione (PubChem CID 108659628) has the molecular formula C24H19F2NO4 and a molecular weight of 423.42 g/mol. Its IUPAC name is (4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione.

Molecular Properties

• Compound Name: (4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
• PubChem CID: 108659628
• Molecular Formula: C24H19F2NO4
• Molecular Weight: 423.42 g/mol
• Exact Mass: 423.13
• IUPAC Name: (4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
• SMILES: CCc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(F)cc3F)C2c2ccc(C)o2)cc1
• InChI: InChI=1S/C24H19F2NO4/c1-3-14-5-7-15(8-6-14)22(28)20-21(19-11-4-13(2)31-19)27(24(30)23(20)29)18-10-9-16(25)12-17(18)26/h4-12,21,28H,3H2,1-2H3/b22-20-
• InChIKey: MUISTPSJTSNEMJ-XDOYNYLZSA-N
• XLogP: 5.05
• 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	423.42
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?

The IUPAC name of (4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione (CID 108659628) is (4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione.

What is the SMILES notation for (4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?

The canonical SMILES for (4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione is CCc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ccc(F)cc3F)C2c2ccc(C)o2)cc1.

What is the InChIKey of (4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?

The InChIKey is MUISTPSJTSNEMJ-XDOYNYLZSA-N. The full InChI is InChI=1S/C24H19F2NO4/c1-3-14-5-7-15(8-6-14)22(28)20-21(19-11-4-13(2)31-19)27(24(30)23(20)29)18-10-9-16(25)12-17(18)26/h4-12,21,28H,3H2,1-2H3/b22-20-.

What are the key properties of (4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione?

(4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione has a molecular weight of 423.42 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-1-(2,4-difluorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108659628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).