2-Butenamide, N-(4-bromophenyl)-3-methyl-

HCID 532095

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

Experimental & physicochemical properties

Kovats Retention Index1953

Related reactions

29 records

Compound notes

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