Basic information
- Standard SMILES
COCCOc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Br- InChIKey
QTZUCIABJNOPHL-UHFFFAOYSA-N- Molecular formula
- C16H14BrF3N2O4
- Average molar mass
- 435.19 g/mol
Names & identifiers
- Preferred name
- 5-bromo-6-(2-methoxyethoxy)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
- IUPAC
- 5-bromo-6-(2-methoxyethoxy)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
5-bromo-6-(2-methoxyethoxy)-N-(4-(trifluoromethoxy)phenyl)nicotinamideSCHEMBL15392398
Database identifiers
- PubChem CID
- 89907416
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 448
Related reactions
4 records
Compound notes
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