Basic information
- Standard SMILES
CC(C)(C)CC1NC(C(=O)NC2CCNCC2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F.O=C(O)C(F)(F)F- InChIKey
UEGICIHXSPIBAP-UHFFFAOYSA-N- Molecular formula
- C30H33Cl2F5N4O3
- Average molar mass
- 663.5 g/mol
Names & identifiers
- Preferred name
- Rac-(2r,3s,4r,5s)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid piperidin-4-ylamide trifluoroacetic acid
- IUPAC
- 3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Names & synonyms
rac-(2r,3s,4r,5s)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid piperidin-4-ylamide trifluoroacetic acidSCHEMBL2152257
Database identifiers
- PubChem CID
- 87344720
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 940
Related reactions
1 records
Compound notes
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