Basic information
- Standard SMILES
O=C(CC(=O)OCc1ccccc1)Nc1cccc(OC(F)(F)F)c1- InChIKey
YMPSALUUAVEBSC-UHFFFAOYSA-N- Molecular formula
- C17H14F3NO4
- Average molar mass
- 353.29 g/mol
- Monoisotopic mass
- 353.08749241
Names & identifiers
- Preferred name
- N-(3-trifluoromethoxy-phenyl)-malonamic acid benzyl ester
- IUPAC
- benzyl 3-oxo-3-[3-(trifluoromethoxy)anilino]propanoate
Names & synonyms
N-(3-trifluoromethoxy-phenyl)-malonamic acid benzyl esterSCHEMBL5027273
Database identifiers
- PubChem CID
- 69284656
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 450
Related reactions
2 records
Compound notes
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