o-Toluamide

C8H9NOCAS 527-85-5135.17 g/mol

Open in Covalent MOL file
OH2N
Amide

Properties

Molecular formula
C8H9NO
Molar mass
135.17 g/mol
Exact mass
135.0684 Da
Water solubility
< 1 g/L (22.2 °C)
logP
1.09Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
527-85-5
SMILES
CC1=CC=CC=C1C(=O)N
InChIKey
XXUNIGZDNWWYED-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H2,9,10)

Weigh it out

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

Names and synonyms

11 names
  • 2-Methylbenzamide
  • o-Methylbenzamide
  • o-Toluic amide
  • Benzamide, 2-methyl-
  • o-Tolylamide
  • 2-BroMo-4-fluoro-
  • Toluamide
  • 2-Methyl-benzamide
  • 2-Toluamide
  • ortho-Toluamide
  • Methyl benzamide

Reactions

Work with o-Toluamide

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

2′-Methylacetophenone577-16-255 % similar 5-Fluoro-2-methylbenzamide175278-28-155 % similar o-Toluic acid118-90-153 % similar 2-Methylbenzoyl chloride933-88-053 % similar 2-Methylbenzophenone131-58-852 % similar 2-Chloro-6-methylbenzamide101080-58-452 % similar Methyl 2-methylbenzoate89-71-450 % similar 2-(Acetyloxy)benzamide5663-71-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzeneacetamide103-81-1 Acetanilide103-84-4 1,5,6,7-Tetrahydro-4H-indol-4-one13754-86-4 1-(3-Pyridyl)propan-1-one1570-48-5 4′-Methylformanilide3085-54-9 1-(6-Methyl-3-pyridinyl)ethanone36357-38-7 2,3-Dihydro-1-benzofuran-5-amine42933-43-7 2'-Aminoacetophenone551-93-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook