chempirical

Metazachlor

C14H16ClN3OCAS 67129-08-2277.75 g/mol

Open in Covalent MOL file
NNNOCl
Alkyl halideAmide

Properties

Molecular formula
C14H16ClN3O
Molar mass
277.75 g/mol
Exact mass
277.0982 Da
Density
1.237–1.323 g/mL (at 25 °C)
Melting point
85 °C
logP
2.73Crippen estimate
Polar surface area
38.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
67129-08-2
SMILES
Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl
InChIKey
STEPQTYSZVCJPV-UHFFFAOYSA-N
InChI
InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)-
  • 2-Chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide
  • BAS 479H
  • BAS 47902H
  • Butisan S
  • Methazachlor
  • Pree
  • Butisan
  • BAS 479
  • Butisan 400SC
  • Sultan

Work with Metazachlor

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

Same formula

(5-Chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)methanone459168-41-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook