chempirical

4-Chloro-1,3-dihydro-2H-indol-2-one

C8H6ClNOCAS 20870-77-3167.59 g/mol

Open in Covalent MOL file
ClNHO
AmideAryl halideLactam

Properties

Molecular formula
C8H6ClNO
Molar mass
167.59 g/mol
Exact mass
167.0138 Da
logP
1.83Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
20870-77-3
SMILES
C1C2=C(C=CC=C2Cl)NC1=O
InChIKey
XNSPDJAXCBZCRV-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11)

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Names and synonyms

1 names
  • 4-Chloro-1,3-dihydro-indol-2-one

Work with 4-Chloro-1,3-dihydro-2H-indol-2-one

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-Chloro-N-(2-chlorophenyl)acetamide3289-76-757 % similar 4-Chloro-1H-pyrrolo[2,3-B]pyridin-2(3H)-one346599-62-057 % similar 2-Chloro-N-(2,3-dichlorophenyl)acetamide33560-47-354 % similar 2,6-Dichlorophenylacetic acid6575-24-246 % similar 5-(2-Chloroacetyl)-6-chlorooxindole118307-04-344 % similar 5-Chloro-1,3-dihydro-2H-pyrrolo[3,2-B] pyridin-2-one136888-08-944 % similar 4,6-Difluorooxindole247564-57-444 % similar 4-Chloroindoline41910-64-943 % similar

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

Same formula

3-Chloro-4-methoxybenzonitrile102151-33-7 5-Chlorooxindole17630-75-0 5-Chloro-2-methylbenzoxazole19219-99-9 3-Chloro-4-methylphenyl isocyanate28479-22-3 2-(4-Chlorophenoxy)acetonitrile3598-13-8 3-Chloro-2-methylphenyl isocyanate40397-90-8 2-Chloro-6-methylphenyl isocyanate40398-01-4 5-Chloro-2-methylphenyl isocyanate40411-27-6

Elsewhere

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