Basic information
- Standard SMILES
COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@@H]1CCCC[C@@H]1N1CCCCC1- InChIKey
NJTJGSNYWTXNKJ-CVEARBPZSA-N- Molecular formula
- C21H26F6N2O2
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 452.18984705
Names & identifiers
- Preferred name
- cis-2-Methoxy-N-(2-piperidin-1-yl-cyclohexyl)-4,6-bis-trifluoromethyl-benzamide
- IUPAC
- 2-methoxy-N-[(1R,2S)-2-piperidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide
Names & synonyms
cis-2-Methoxy-N-(2-piperidin-1-yl-cyclohexyl)-4,6-bis-trifluoromethyl-benzamideSCHEMBL421723
Database identifiers
- PubChem CID
- 58062884
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 606
Related reactions
2 records
Compound notes
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