Basic information
- CAS
22121-45-5- Standard SMILES
COC(=O)c1ccccc1N(C)c1cccc(C(F)(F)F)c1- InChIKey
IUEFNNILZKSULD-UHFFFAOYSA-N- Molecular formula
- C16H14F3NO2
- Average molar mass
- 309.28 g/mol
- Monoisotopic mass
- 309.09766318
Names & identifiers
- Preferred name
- Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl ester
- IUPAC
- methyl 2-[N-methyl-3-(trifluoromethyl)anilino]benzoate
Names & synonyms
Benzoic acid, 2-[methyl[3-(trifluoromethyl)phenyl]amino]-, methyl esterFlufenamic acid di-methyl derivative22121-45-5SCHEMBL11351276DTXSID30347930Methyl 2-[methyl-3-(trifluoromethyl)anilino]benzoate #METHYL 2-{METHYL[3-(TRIFLUOROMETHYL)PHENYL]AMINO}BENZOATE
Database identifiers
- CAS
22121-45-5- PubChem CID
- 628111
- DTXSID
DTXSID30347930
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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