Basic information
- CAS
852899-57-1- Standard SMILES
O=C(CNC(=O)c1n[nH]c2ccccc12)Nc1ccc(F)c(F)c1F- InChIKey
VYXIIFPTMNDSRV-UHFFFAOYSA-N- Molecular formula
- C16H11F3N4O2
- Average molar mass
- 348.28 g/mol
- Monoisotopic mass
- 348.08341009
Names & identifiers
- Preferred name
- N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide
- IUPAC
- N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamide
Names & synonyms
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-indazole-3-carboxamideMLS002248796CHEMBL1715639DTXSID301327149HMS3040J09AKOS034181873852899-57-1SMR001316255Z32211472
Database identifiers
- CAS
852899-57-1- PubChem CID
- 4786972
- DTXSID
DTXSID301327149- ChEMBL
CHEMBL1715639
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 510
Experimental & physicochemical properties
Solubility2.8 [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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