Basic information
- Standard SMILES
CC(C)(/C=C/I)C(=O)Nc1ccc(Cl)cc1- InChIKey
IHGXHANZSZMQOQ-BQYQJAHWSA-N- Molecular formula
- C12H13ClINO
- Average molar mass
- 349.59 g/mol
- Monoisotopic mass
- 348.97304
Names & identifiers
- Preferred name
- (E)-N-(4-chlorophenyl)-4-iodo-2,2-dimethyl-3-butenamide
- IUPAC
- (E)-N-(4-chlorophenyl)-4-iodo-2,2-dimethylbut-3-enamide
Names & synonyms
SCHEMBL10385556IHGXHANZSZMQOQ-BQYQJAHWSA-N(E)-N-(4-chlorophenyl)-4-iodo-2,2-dimethyl-3-butenamide
Database identifiers
- PubChem CID
- 15085692
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
1 records
Compound notes
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