5-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-2,5-dihydro-1H-pyrrol-2-one
Basic information
- CAS
498570-65-3- Standard SMILES
CCN(CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(OC)cc2C)C1c1ccc(Cl)c(Cl)c1- InChIKey
FEVHXGNRKHNIOJ-UHFFFAOYSA-N- Molecular formula
- C25H28Cl2N2O4
- Average molar mass
- 491.4 g/mol
- Monoisotopic mass
- 490.1426128
Names & identifiers
- Preferred name
- 5-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-2,5-dihydro-1H-pyrrol-2-one
- IUPAC
- 5-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]pyrrolidine-2,3-dione
- English name
- 5-(3,4-dichlorophenyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2(5H)-one
- Molecular formula
- C25H28Cl2N2O4
- Molecular weight
- 491.41
Names & synonyms
498570-65-35-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-2,5-dihydro-1H-pyrrol-2-one5-(3,4-dichlorophenyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1H-pyrrol-2(5H)-one5-(3,4-DICHLOROPHENYL)-1-[2-(DIETHYLAMINO)ETHYL]-3-HYDROXY-4-(4-METHOXY-2-METHYLBENZOYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE2H-Pyrrol-2-one, 5-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-1,5-dihydro-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-
Database identifiers
- CAS
498570-65-3- PubChem CID
- 3373252
- EC Number
- 134-814-3
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 742
Physicochemical properties
- Boiling point
- 655.8 · 655.8±55.0 °C(Predicted)
- Density
- 1.297 · 1.297±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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