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

C23H17FN2O4 — CID 4871914

IUPAC5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
SMILESCOc1cccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)C2c2ccccc2F)c1
InChIInChI=1S/C23H17FN2O4/c1-30-15-8-6-7-14(13-15)21(27)19-20(16-9-2-3-10-17(16)24)26(23(29)22(19)28)18-11-4-5-12-25-18/h2-13,20,27H,1H3
InChIKeyNSEATBPMBORHPD-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.86
Rot. Bonds4

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

5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione (PubChem CID 4871914) has the molecular formula C23H17FN2O4 and a molecular weight of 404.40 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
PubChem CID4871914
Molecular FormulaC23H17FN2O4
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC Name5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
SMILESCOc1cccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)C2c2ccccc2F)c1
InChIInChI=1S/C23H17FN2O4/c1-30-15-8-6-7-14(13-15)21(27)19-20(16-9-2-3-10-17(16)24)26(23(29)22(19)28)18-11-4-5-12-25-18/h2-13,20,27H,1H3
InChIKeyNSEATBPMBORHPD-UHFFFAOYSA-N
XLogP3.86
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

(4Z)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-phenyl-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 6710589
(4Z)-5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
CID 108644911
(5S)-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 1106628
4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 2949959
(5R)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 41021964
(4E)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-nitrophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 6229800
1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 5208858
(4Z)-1-(4-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108625409
(4Z)-5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
CID 108645467
(4E)-1-(3-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108625235
5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
CID 3719203
(4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108602572

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione (CID 4871914) is 5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione is COc1cccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)C2c2ccccc2F)c1.
What is the InChIKey of 5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione?
The InChIKey is NSEATBPMBORHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O4/c1-30-15-8-6-7-14(13-15)21(27)19-20(16-9-2-3-10-17(16)24)26(23(29)22(19)28)18-11-4-5-12-25-18/h2-13,20,27H,1H3.
What are the key properties of 5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione?
5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione has a molecular weight of 404.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 4871914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).