chempirical

3-Chlorobenzamide

C7H6ClNOCAS 618-48-4155.58 g/mol

Open in Covalent MOL file
H2NOCl
Aryl halide

Properties

Molecular formula
C7H6ClNO
Molar mass
155.58 g/mol
Exact mass
155.0138 Da
Melting point
133–134 °C
Boiling point
99–100 °C (at 15 Torr)
logP
2.22Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
618-48-4
SMILES
N=C(O)c1cccc(Cl)c1
InChIKey
MJTGQALMWUUPQM-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)

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Names and synonyms

3 names
  • Benzamide, 3-chloro-
  • Benzamide, m-chloro-
  • m-Chlorobenzamide

Work with 3-Chlorobenzamide

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-Benzenedicarboxamide1740-57-472 % similar 3,5-Dichlorobenzamide5980-23-467 % similar 3-Bromobenzamide22726-00-760 % similar 3-Fluorobenzamide455-37-860 % similar 3-Aminobenzamide3544-24-958 % similar 3-Methylbenzamide618-47-358 % similar Benzamide55-21-056 % similar 3-Chlorobenzoic acid535-80-855 % similar

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

Same formula

2-Chlorobenzaldehyde oxime3717-28-0 2-Chlorobenzamide609-66-5 4-Chlorobenzamide619-56-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook