chempirical

5-(2-Chloroethyl)-6-chlorooxindole

C10H9Cl2NOCAS 118289-55-7230.09 g/mol

Open in Covalent MOL file
OHNClCl
Alkyl halideAryl halide

Properties

Molecular formula
C10H9Cl2NO
Molar mass
230.09 g/mol
Exact mass
229.0061 Da
Melting point
210–211 °C
logP
3.27Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
118289-55-7
SMILES
OC1=Nc2cc(Cl)c(CCCl)cc2C1
InChIKey
ZTQQXEPZEYIVDK-UHFFFAOYSA-N
InChI
InChI=1S/C10H9Cl2NO/c11-2-1-6-3-7-4-10(14)13-9(7)5-8(6)12/h3,5H,1-2,4H2,(H,13,14)

Weigh it out

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

Names and synonyms

6 names
  • 2H-Indol-2-one, 6-chloro-5-(2-chloroethyl)-1,3-dihydro-
  • 6-Chloro-5-(2-chloroethyl)-1,3-dihydro-2H-indol-2-one
  • 6-Chloro-5-(2-chloroethyl)oxindole
  • 5-(2-Chloroethyl)-6-chloro-1,3-dihydro-2H-indol-2-one
  • 6-Chloro-5-(2-chloroethyl)-2-oxoindoline
  • 6-Chloro-5-(2-chloroethyl)indolin-2-one

Work with 5-(2-Chloroethyl)-6-chlorooxindole

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

6-Chlorooxindole56341-37-849 % similar Ziprasidone146939-27-747 % similar Ziprasidone hydrochloride122883-93-645 % similar Ziprasidone monohydrochloride monohydrate138982-67-943 % similar 5-Methyloxindole3484-35-341 % similar Oxindole59-48-341 % similar Ziprasidone mesylate hydrate199191-69-038 % similar 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indol-2-one139122-19-336 % similar

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

Elsewhere

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