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Basic information
- Standard SMILES
CNC(=O)/C(=N/OC)c1ccccc1COc1ncc(Cl)cc1C(F)(F)F- InChIKey
DBECZZDYDCDINB-ZVHZXABRSA-N- Molecular formula
- C17H15ClF3N3O3
- Average molar mass
- 401.8 g/mol
- Monoisotopic mass
- 401.0754035
Names & identifiers
- Preferred name
- (2E)-2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
- IUPAC
- (2E)-2-[2-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
Names & synonyms
SCHEMBL8105497CHEMBL2288331
Database identifiers
- PubChem CID
- 22016901
- ChEMBL
CHEMBL2288331- Nikkaji
- J1.114.978B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 533
Related reactions
3 records
Compound notes
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