Su 4942

C₁₅H₁₀BrNOCAS 76086-99-2300.16 g/mol

Open in Covalent MOL file

Alkene Amide Aryl halide Lactam

Properties

Molecular formula: C₁₅H₁₀BrNO
Molar mass: 300.16 g/mol
Exact mass: 298.9946 Da
logP: 3.94Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Double bonds: ZE/Z, in SMILES order

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

76086-99-2

SMILES

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

InChIKey

INAOSTJXLBNFMV-LCYFTJDESA-N

InChI

InChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-

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Names and synonyms

1 names

(3Z)-3-[(4-Bromophenyl)methylidene]-1H-indol-2-one

Work with Su 4942

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

3-(4-Fluorobenzylidene)indolin-2-one3476-86-670 % similar 3-(3,4-Dichlorobenzylidene)indolin-2-one114727-43-461 % similar Isatin91-56-547 % similar 6-Bromoisatin6326-79-044 % similar 5-Bromoisatin87-48-944 % similar 3-(3,5-Dibromo-4-hydroxybenzylidene)-5-iodo-1,3-dihydroindol-2-one220904-83-643 % similar 2-(4-Bromophenyl)-1,1-diphenylethylene18648-66-341 % similar Isatin β-oxime607-28-341 % similar

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

Elsewhere

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