Basic information
- Standard SMILES
O=C(NCN1CC=C(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1- InChIKey
FZXWNOGBMCXKFB-UHFFFAOYSA-N- Molecular formula
- C19H18F3N3O
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.14019669
Names & identifiers
- Preferred name
- N-(3',6'-dihydro-2,4'-bipyridin-1'(2'H)-ylmethyl)-3-(trifluoromethyl)benzamide
- IUPAC
- N-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3-(trifluoromethyl)benzamide
Names & synonyms
N-(3',6'-dihydro-2,4'-bipyridin-1'(2'H)-ylmethyl)-3-(trifluoromethyl)benzamideSCHEMBL4004066
Database identifiers
- PubChem CID
- 68873591
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 521
Related reactions
2 records
Compound notes
Loading…