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Basic information
- Standard SMILES
O=C(NCC(F)(F)F)c1ccncc1Nc1ccc(I)cc1F- InChIKey
YBEUAEXFIVUQEX-UHFFFAOYSA-N- Molecular formula
- C14H10F4IN3O
- Average molar mass
- 439.15 g/mol
- Monoisotopic mass
- 438.98047
Names & identifiers
- Preferred name
- 3-(2-Fluoro-4-iodo-phenylamino)-N-(2,2,2-trifluoro-ethyl)-isonicotinamide
- IUPAC
- 3-(2-fluoro-4-iodoanilino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
Names & synonyms
3-(2-Fluoro-4-iodo-phenylamino)-N-(2,2,2-trifluoro-ethyl)-isonicotinamideSCHEMBL20190133-(2-Fluoro-4-iodo-phenylamino)-N-(2,2,2-trifluoro-ethyl) -isonicotinamide
Database identifiers
- PubChem CID
- 11640709
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Related reactions
5 records
Compound notes
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