chempirical

3-Methylbenzamide

C8H9NOCAS 618-47-3135.17 g/mol

Open in Covalent MOL file
H2NO

Properties

Molecular formula
C8H9NO
Molar mass
135.17 g/mol
Exact mass
135.0684 Da
Melting point
94–96 °C
logP
1.88Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
618-47-3
SMILES
Cc1cccc(C(=N)O)c1
InChIKey
WGRPQCFFBRDZFV-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO/c1-6-3-2-4-7(5-6)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

4 names
  • Benzamide, 3-methyl-
  • m-Toluamide
  • m-Methylbenzamide
  • NSC 2170

Work with 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

1,3-Benzenedicarboxamide1740-57-469 % similar Benzamide55-21-059 % similar 3-Bromobenzamide22726-00-758 % similar 3-Fluorobenzamide455-37-858 % similar 3-Chlorobenzamide618-48-458 % similar 3-Methylbenzenecarbothioamide2362-63-256 % similar 3-Aminobenzamide3544-24-956 % similar M-Toluic acid99-04-756 % 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 3-Propionylpyridine1570-48-5 N-(4-Methylphenyl)formamide3085-54-9 1-(6-Methyl-3-pyridinyl)ethanone36357-38-7 o-Toluamide527-85-5 2′-Aminoacetophenone551-93-9

Elsewhere

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