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N-(2-bromophenyl)-2,2-dimethylpropanamide

HCID 357675
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
65854-92-4
Standard SMILES
CC(C)(C)C(=O)Nc1ccccc1Br
InChIKey
KVXJJCVTWLZHOX-UHFFFAOYSA-N
Molecular formula
C11H14BrNO
Average molar mass
256.14 g/mol
Monoisotopic mass
255.02588

Names & identifiers

Preferred name
N-(2-bromophenyl)-2,2-dimethylpropanamide
IUPAC
N-(2-bromophenyl)-2,2-dimethylpropanamide
English name
Propanamide, N-(2-bromophenyl)-2,2-dimethyl-
Molecular formula
C11H14BrNO
Molecular weight
256.14

Names & synonyms

N-(2-bromophenyl)-2,2-dimethylpropanamide65854-92-42-BromopivalanilideN-(2-bromophenyl)pivalamideN-(2-Bromophenyl)-2,2-dimethylpropionamideMFCD00507417NSC617192SCHEMBL2909082CHEMBL1998792SCHEMBL30806792DTXSID20326799Pivalamide, N-(2-bromophenyl)-
Show more names
Propanamide, N-(2-bromophenyl)-2,2-dimethyl-
QCA85492AKOS000191020NSC-617192NCI60_005156DB-320201CS-0238677N-(2-bromophenyl)-2,2-dimethyl-propanamideD85999

Database identifiers

CAS
65854-92-4
PubChem CID
357675
DTXSID
DTXSID20326799
ChEMBL
CHEMBL1998792
Nikkaji
J1.134.140C

Properties

Computed structural properties

XLogP
2.8
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
210

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

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Related reactions

2 records
New reaction record
HRID 155402 reaction equation
HRID 155402As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1513326 reaction equation
HRID 1513326As productuspto-grants-2012_07

Compound notes

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