3-(3,4-Dichlorobenzylidene)indolin-2-one

C₁₅H₉Cl₂NOCAS 114727-43-4290.14 g/mol

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Alkene Amide Aryl halide Lactam

Properties

Molecular formula: C₁₅H₉Cl₂NO
Molar mass: 290.14 g/mol
Exact mass: 289.0061 Da
logP: 4.49Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Double bonds: ZE/Z, in SMILES order

Identifiers

CAS number

114727-43-4

SMILES

C1=CC=C2C(=C1)/C(=C/C3=CC(=C(C=C3)Cl)Cl)/C(=O)N2

InChIKey

RCJZXLNWNCVIMJ-XFFZJAGNSA-N

InChI

InChI=1S/C15H9Cl2NO/c16-12-6-5-9(8-13(12)17)7-11-10-3-1-2-4-14(10)18-15(11)19/h1-8H,(H,18,19)/b11-7-

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Names and synonyms

1 names

Nsc 247030

Work with 3-(3,4-Dichlorobenzylidene)indolin-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

Isatin91-56-544 % similar 3,4-Dichlorocinnamic acid1202-39-740 % similar Isatin β-oxime607-28-338 % similar 3,4-Dichlorobenzaldehyde6287-38-338 % similar 3-(3,5-Dibromo-4-hydroxybenzylidene)-5-iodo-1,3-dihydroindol-2-one220904-83-638 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-536 % similar 5-Chloroisatin17630-76-135 % similar Indigo blue482-89-335 % similar

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

Elsewhere

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