N-(2-Bromo-4-methylphenyl)acetamide

C₉H₁₀BrNOCAS 614-83-5228.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₀BrNO
Molar mass: 228.09 g/mol
Exact mass: 226.9946 Da
Melting point: 118 °C
logP: 3.37Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

614-83-5

SMILES

CC(O)=Nc1ccc(C)cc1Br

InChIKey

UUDGTWKIIUEVJD-UHFFFAOYSA-N

InChI

InChI=1S/C9H10BrNO/c1-6-3-4-9(8(10)5-6)11-7(2)12/h3-5H,1-2H3,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Acetamide, N-(2-bromo-4-methylphenyl)-
p-Acetotoluidide, 2′-bromo-
2′-Bromo-4′-methylacetanilide
4-Acetamido-3-bromotoluene
NSC 8063

Work with N-(2-Bromo-4-methylphenyl)acetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(2-Bromo-4-fluorophenyl)acetamide1009-22-964 % similar N-(2-Bromophenyl)acetamide614-76-661 % similar N-(2-Hydroxy-5-methylphenyl)acetamide6375-17-358 % similar 4-Methylacetanilide103-89-950 % similar 2-Bromo-4-methylphenyl isothiocyanate19241-39-550 % similar N-(3-Methylphenyl)acetamide537-92-849 % similar Bromo-p-xylene553-94-648 % similar N-(4-Bromo-2-fluorophenyl)acetamide326-66-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Bromo-2-methylphenyl)acetamide24106-05-6 N-(4-Bromo-3-methylphenyl)acetamide90914-81-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook