Basic information
- Standard SMILES
O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccncc1- InChIKey
BTTZUMNICMRINB-UHFFFAOYSA-N- Molecular formula
- C17H16F3N3O2
- Average molar mass
- 351.32 g/mol
Names & identifiers
- Preferred name
- N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]isonicotinamide
- IUPAC
- N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
Names & synonyms
N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]isonicotinamideMLS002244845CHEMBL2131797SCHEMBL13540499HMS3050L08SMR001308518Z26790100
Database identifiers
- PubChem CID
- 2117018
- ChEMBL
CHEMBL2131797
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 449
Experimental & physicochemical properties
Solubility>52.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
2 records
Compound notes
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