Basic information
- Standard SMILES
CC(C)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)N[C@H](C#N)Cc1ccc(I)cc1- InChIKey
AJWRGNXLCIKQCB-ACRUOGEOSA-N- Molecular formula
- C23H24BrF3IN3O
- Average molar mass
- 622.3 g/mol
- Monoisotopic mass
- 621.00996
Names & identifiers
- Preferred name
- N2-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-[(1S)-1-cyano-2-(4-iodophenyl)ethyl]-L-leucinamide
- IUPAC
- (2S)-2-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-N-[(1S)-1-cyano-2-(4-iodophenyl)ethyl]-4-methylpentanamide
Names & synonyms
SCHEMBL3769856AJWRGNXLCIKQCB-ACRUOGEOSA-NN2-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-[(1S)-1-cyano-2-(4-iodophenyl)ethyl]-L-leucinamide
Database identifiers
- PubChem CID
- 68779205
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 638
Related reactions
1 records
Compound notes
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