Basic information
- CAS
338782-03-9- Standard SMILES
CNC(=O)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O- InChIKey
MPFLEYOJNIJSQS-UHFFFAOYSA-N- Molecular formula
- C16H12F6N2O2
- Average molar mass
- 378.27 g/mol
Names & identifiers
- Preferred name
- 1-(3,5-Bis(trifluoromethyl)benzyl)-N-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
- IUPAC
- 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
- English name
- 1-[3,5-Bis(trifluoromethyl)benzyl]-N-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
- Molecular formula
- C16H12F6N2O2
- Molecular weight
- 378.27
Names & synonyms
338782-03-91-(3,5-Bis(trifluoromethyl)benzyl)-N-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-N-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide1-[3,5-bis(trifluoromethyl)benzyl]-N-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxamideBionet1_001678MLS000763714CHEMBL1588018HMS572P20HMS2645L11AKOS0050969696E-325S
Show more names
3-Pyridinecarboxamide, 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,2-dihydro-N-methyl-2-oxo-
SMR0003340591-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
Database identifiers
- CAS
338782-03-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Boiling point
- 469.7 · 469.7±45.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- pka
- 13.11 · 13.11±0.20(Predicted)
Chemistry & industry
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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