Basic information
- Standard SMILES
CCOC(=O)c1cccnc1NC(=O)Cc1c(F)cc(F)cc1F- InChIKey
IKKXFAPATOHHHO-UHFFFAOYSA-N- Molecular formula
- C16H13F3N2O3
- Average molar mass
- 338.28 g/mol
Names & identifiers
- Preferred name
- 2-[2-(2,4,6-Trifluorophenyl)-acetylamino]-nicotinic acid ethyl ester
- IUPAC
- ethyl 2-[[2-(2,4,6-trifluorophenyl)acetyl]amino]pyridine-3-carboxylate
Names & synonyms
SCHEMBL1887669IKKXFAPATOHHHO-UHFFFAOYSA-N2-[2-(2,4,6-trifluorophenyl)-acetylamino]-nicotinic acid ethyl ester
Database identifiers
- PubChem CID
- 58617232
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 440
Related reactions
2 records
Compound notes
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