(4E)-5-(4-bromophenyl)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Basic information
- CAS
865593-25-5- Standard SMILES
Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccncc3)C2c2ccc(Br)cc2)cc1F- InChIKey
FCZSAZQRZCUERB-LSDHQDQOSA-N- Molecular formula
- C24H18BrFN2O3
- Average molar mass
- 481.3 g/mol
- Monoisotopic mass
- 480.04848
Names & identifiers
- Preferred name
- (4E)-5-(4-bromophenyl)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
- IUPAC
- (4E)-5-(4-bromophenyl)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
- English name
- 5-(4-Bromophenyl)-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
- Molecular formula
- C24H18BrFN2O3
- Molecular weight
- 481.31
Names & synonyms
5-(4-bromophenyl)-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-1-[(pyridin-4-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one865593-25-5Z577851085-(4-Bromophenyl)-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-1-(4-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 5-(4-bromophenyl)-4-(3-fluoro-4-methylbenzoyl)-1,5-dihydro-3-hydroxy-1-(4-pyridinylmethyl)-
Database identifiers
- CAS
865593-25-5- PubChem CID
- 5938367
- EC Number
- 135-679-3
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 716
Physicochemical properties
- Boiling point
- 679.248 · 679.248±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.543 · 1.543±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.5 · 4.500±1.00(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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