Basic information
- Standard SMILES
N#Cc1ccc(N2CCC(N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1- InChIKey
UGENNEUYBHTRJT-OAQYLSRUSA-N- Molecular formula
- C26H28F3N5O2
- Average molar mass
- 499.5 g/mol
- Monoisotopic mass
- 499.21950964
Names & identifiers
- Preferred name
- N-[2-({(3R)-1-[1-(4-cyanophenyl)piperidin-4-yl]pyrrolidin-3-yl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
- IUPAC
- N-[2-[[(3R)-1-[1-(4-cyanophenyl)piperidin-4-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Names & synonyms
N-[2-({(3R)-1-[1-(4-cyanophenyl)piperidin-4-yl]pyrrolidin-3-yl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamideSCHEMBL1358838
Database identifiers
- PubChem CID
- 67004396
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 812
Related reactions
1 records
Compound notes
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