Basic information
- CAS
428845-07-2- Standard SMILES
CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(c2ccccc2C)C2=C(CCCC2=O)N1- InChIKey
FIPOYEIFKZLLTG-UHFFFAOYSA-N- Molecular formula
- C25H22ClF3N2O2
- Average molar mass
- 474.9 g/mol
- Monoisotopic mass
- 474.1321901
Names & identifiers
- Preferred name
- N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
- IUPAC
- N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Names & synonyms
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamideN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamideAN-919/40668372AKOS001660190EU-0075974AB00109933-01428845-07-2
Database identifiers
- CAS
428845-07-2- PubChem CID
- 2902004
- EC Number
- 132-971-2
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 866
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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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