2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
Basic information
- CAS
876878-20-5- Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1-n1cnnn1- InChIKey
KCAZQUMKSJCIGV-UHFFFAOYSA-N- Molecular formula
- C15H10F3N5O2
- Average molar mass
- 349.27 g/mol
- Monoisotopic mass
- 349.07865906
Names & identifiers
- Preferred name
- 2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
- IUPAC
- 2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
Names & synonyms
2-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamideMLS002251546CHEMBL1700173DTXSID301326703HMS1770D02HMS3071E13AKOS034136047876878-20-5SMR001313938AB00747493-01Z305332442-(1H-Tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
Database identifiers
- CAS
876878-20-5- PubChem CID
- 8933285
- DTXSID
DTXSID301326703- ChEMBL
CHEMBL1700173
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Experimental & physicochemical properties
Solubility8.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…