2-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
Basic information
- CAS
878938-71-7- Standard SMILES
Cc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1- InChIKey
AJIDKUJWNDTFNQ-UHFFFAOYSA-N- Molecular formula
- C17H13F3N4O
- Average molar mass
- 346.31 g/mol
- Monoisotopic mass
- 346.10414554
Names & identifiers
- Preferred name
- 2-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
- IUPAC
- 2-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
Names & synonyms
MLS002169415CHEMBL1591806DTXSID201322691HMS3052I042-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamideAKOS034054755878938-71-7SMR001249752AB00749706-01Z285351282-methyl-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
Database identifiers
- CAS
878938-71-7- PubChem CID
- 9504912
- DTXSID
DTXSID201322691- ChEMBL
CHEMBL1591806
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 473
Experimental & physicochemical properties
Solubility18.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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