(4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione

C22H15FN2O3 — CID 23912689

IUPAC(4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccccn2)C(c2cccc(F)c2)/C1=C(/O)c1ccccc1
InChIInChI=1S/C22H15FN2O3/c23-16-10-6-9-15(13-16)19-18(20(26)14-7-2-1-3-8-14)21(27)22(28)25(19)17-11-4-5-12-24-17/h1-13,19,26H/b20-18-
InChIKeyUOJKPWUROUAEFY-ZZEZOPTASA-N
MW374.37 g/mol
LogP3.85
Rot. Bonds3

About (4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione

(4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione (PubChem CID 23912689) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is (4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
PubChem CID23912689
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC Name(4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccccn2)C(c2cccc(F)c2)/C1=C(/O)c1ccccc1
InChIInChI=1S/C22H15FN2O3/c23-16-10-6-9-15(13-16)19-18(20(26)14-7-2-1-3-8-14)21(27)22(28)25(19)17-11-4-5-12-24-17/h1-13,19,26H/b20-18-
InChIKeyUOJKPWUROUAEFY-ZZEZOPTASA-N
XLogP3.85
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione?
The IUPAC name of (4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione (CID 23912689) is (4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione is O=C1C(=O)N(c2ccccn2)C(c2cccc(F)c2)/C1=C(/O)c1ccccc1.
What is the InChIKey of (4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione?
The InChIKey is UOJKPWUROUAEFY-ZZEZOPTASA-N. The full InChI is InChI=1S/C22H15FN2O3/c23-16-10-6-9-15(13-16)19-18(20(26)14-7-2-1-3-8-14)21(27)22(28)25(19)17-11-4-5-12-24-17/h1-13,19,26H/b20-18-.
What are the key properties of (4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione?
(4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione has a molecular weight of 374.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 23912689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).