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

Alkene Aryl 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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

Enzastaurin170364-57-553 % similar 1-Methyl-1H-indole-3-carboxylic acid32387-21-645 % similar 3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione133052-90-142 % similar Benzotriazol-1-yl-(2,4-dichloro-phenyl)-methanone200626-61-539 % similar Lonidamine50264-69-238 % similar 2,4-Dichlorobenzoic acid50-84-038 % similar 2,4-Dichlorobenzophenone19811-05-336 % similar 1-Methyl-3-indoleacetic acid1912-48-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook