4-Bromo-3-methylbenzamide

C₈H₈BrNOCAS 170229-98-8214.06 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₈H₈BrNO
Molar mass: 214.06 g/mol
Exact mass: 212.9789 Da
logP: 1.86Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

170229-98-8

SMILES

Cc1cc(C(N)=O)ccc1Br

InChIKey

ZPFPOZMNEKPBIF-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrNO/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H2,10,11)

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

Names and synonyms

1 names

Benzamide, 4-bromo-3-methyl-

Work with 4-Bromo-3-methylbenzamide

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

3,4-Dimethylbenzamide5580-33-667 % similar 4-Bromo-3-methylbenzoic acid7697-28-162 % similar Ethyl 4-bromo-3-methylbenzoate160313-69-954 % similar 4-Bromo-3-methylaniline6933-10-448 % similar 1-Bromo-2,4-dimethylbenzene583-70-047 % similar 2,5-Dibromotoluene615-59-847 % similar 4-Methylbenzamide619-55-647 % similar 4-Bromobenzamide698-67-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Bromoacetanilide103-88-8 6-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine105655-01-4 7-Bromo-3,4-dihydro-2H-1,4-benzoxazine105679-22-9 N-(2-Bromophenyl)acetamide614-76-6

Elsewhere

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