Basic information
- Standard SMILES
CCCC(NC(c1ccc(-c2ccc(F)cc2F)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1- InChIKey
SQGZCMJUYFQKBW-UHFFFAOYSA-N- Molecular formula
- C23H22F5N3O
- Average molar mass
- 451.4 g/mol
- Monoisotopic mass
- 451.16830314
Names & identifiers
- Preferred name
- N-(1-cyanocyclopropyl)-2-[[1-[4-(2,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino]pentanamide
- IUPAC
- N-(1-cyanocyclopropyl)-2-[[1-[4-(2,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino]pentanamide
Database identifiers
- PubChem CID
- 72365993
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 693
Related reactions
1 records
Compound notes
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