Basic information
- Standard SMILES
CC(C)(C)NC(=O)c1c(F)cc(C(C)(C)C#N)cc1Br- InChIKey
DTBUMMWALQAADB-UHFFFAOYSA-N- Molecular formula
- C15H18BrFN2O
- Average molar mass
- 341.22 g/mol
Names & identifiers
- Preferred name
- 2-bromo-N-tert-butyl-4-(2-cyanopropan-2-yl)-6-fluorobenzamide
- IUPAC
- 2-bromo-N-tert-butyl-4-(2-cyanopropan-2-yl)-6-fluorobenzamide
Names & synonyms
SCHEMBL14696550DTBUMMWALQAADB-UHFFFAOYSA-N2-bromo-N-tert-butyl-4-(2-cyanopropan-2-yl)-6-fluorobenzamide
Database identifiers
- PubChem CID
- 71257883
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Related reactions
2 records
Compound notes
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