3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
Basic information
- CAS
487026-08-4- Standard SMILES
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)cc1- InChIKey
KAHAVDPIYHSQCH-UHFFFAOYSA-N- Molecular formula
- C19H16FNO4
- Average molar mass
- 341.3 g/mol
- Monoisotopic mass
- 341.10633615
Names & identifiers
- Preferred name
- 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
- IUPAC
- 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
Names & synonyms
3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one487026-08-4MLS001210168CHEMBL1402337DTXSID801320548HMS2837A11STK542017AKOS005471519AKOS030514776SMR000515863SR-01000357105SR-01000357105-1
Show more names
(4E)-1-(4-fluorophenyl)-4-(1-hydroxyethylidene)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione4-Acetyl-1-(4-fluoro-phenyl)-3-hydroxy-5-(4-methoxy-phenyl)-1,5-dihydro-pyrrol-2-one4-Acetyl-1-(4-fluorophenyl)-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one4-acetyl-1-(4-fluorophenyl)-3-hydroxy-5-(4-methoxyphenyl)-1H-pyrrol-2(5H)-one
Database identifiers
- CAS
487026-08-4- PubChem CID
- 3124205
- DTXSID
DTXSID801320548- ChEMBL
CHEMBL1402337
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 560
Experimental & physicochemical properties
Solubility48.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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