chempirical

3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione

C19H12Cl2N2O2CAS 280744-09-4371.22 g/mol

Open in Covalent MOL file
NClClONHO
AlkeneAryl halide

Properties

Molecular formula
C19H12Cl2N2O2
Molar mass
371.22 g/mol
Exact mass
370.0276 Da
Melting point
102–104 °C
logP
4.89Crippen estimate
Polar surface area
54.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
280744-09-4
SMILES
Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(O)=NC2=O)c2ccccc21
InChIKey
JCSGFHVFHSKIJH-UHFFFAOYSA-N
InChI
InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)

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Names and synonyms

2 names
  • 1H-Pyrrole-2,5-dione, 3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-
  • SB 216763

Work with 3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione

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

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

Elsewhere

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