Basic information
- Standard SMILES
Cc1c(C(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2cc(C(F)(F)F)ccc2Cl)n1C[C@H]1CCCO1- InChIKey
SPUMSFUDVUMBCE-BSLALVQMSA-N- Molecular formula
- C24H28ClF3N2O3
- Average molar mass
- 484.9 g/mol
- Monoisotopic mass
- 484.1740549
Names & identifiers
- Preferred name
- 5-(2-Chloro-5-trifluoromethyl-phenyl)-2-methyl-1-[(R)-1-(tetrahydro-furan-2-yl)methyl]-1H-pyrrole-3-carboxylic acid ((1R,2R)-2-hydroxy-cyclohexyl)-amide
- IUPAC
- 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
Names & synonyms
5-(2-Chloro-5-trifluoromethyl-phenyl)-2-methyl-1-[(R)-1-(tetrahydro-furan-2-yl)methyl]-1H-pyrrole-3-carboxylic acid ((1R,2R)-2-hydroxy-cyclohexyl)-amide
Database identifiers
- PubChem CID
- 11612778
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 63.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 682
Related reactions
1 records
Compound notes
Loading…