Basic information
- Standard SMILES
Cc1c(C#N)c(NC(=O)C(C)(C)C)c(O)c(Br)c1C=Cc1ccccc1- InChIKey
DVHOPKPVMJZURR-UHFFFAOYSA-N- Molecular formula
- C21H21BrN2O2
- Average molar mass
- 413.3 g/mol
Names & identifiers
- Preferred name
- N-(3-Bromo-6-cyano-2-hydroxy-5-methyl-4-styrylphenyl)-2,2-dimethylpropionamide
- IUPAC
- N-[5-bromo-2-cyano-6-hydroxy-3-methyl-4-(2-phenylethenyl)phenyl]-2,2-dimethylpropanamide
Names & synonyms
SCHEMBL3294267DVHOPKPVMJZURR-UHFFFAOYSA-NN-(3-Bromo-6-cyano-2-hydroxy-5-methyl-4-styrylphenyl)-2,2-dimethylpropionamide
Database identifiers
- PubChem CID
- 86630801
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 568
Related reactions
3 records
Compound notes
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