Basic information
- CAS
135631-89-9- Standard SMILES
CC(C)=CC(=O)Nc1ccc(Br)cc1- InChIKey
BJPQRVCCAISNSI-UHFFFAOYSA-N- Molecular formula
- C11H12BrNO
- Average molar mass
- 254.12 g/mol
- Monoisotopic mass
- 253.01023
Names & identifiers
- Preferred name
- 2-Butenamide, N-(4-bromophenyl)-3-methyl-
- IUPAC
- N-(4-bromophenyl)-3-methylbut-2-enamide
Names & synonyms
2-Butenamide, N-(4-bromophenyl)-3-methyl-135631-89-9DTXSID30336304RefChem:257875DTXCID40287393BJPQRVCCAISNSI-UHFFFAOYSA-NN-(4-bromophenyl)-3-methylbut-2-enamideSMR000073218MLS000088957N-(4-bromophenyl)-3-methyl-2-butenamideN-(4-Bromophenyl)-3,3-dimethylacrylamidecid_532095
Show more names
SCHEMBL4135335CHEMBL1347057BDBM38178HMS2506G24AKOS002245124N-(4-bromophenyl)3,3dimethylacrylamideN-(4-Bromophenyl)3,3-dimethylacrylamideN-(4-Bromophenyl)3.3-dimethylacrylamide
Database identifiers
- CAS
135631-89-9- PubChem CID
- 532095
- DTXSID
DTXSID30336304- ChEMBL
CHEMBL1347057
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
Kovats Retention Index1953
Related reactions
29 records
Compound notes
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