1-(3-Chloro-4-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

C₁₁H₈ClNO₂CAS 52845-68-8221.64 g/mol

Open in Covalent MOL file

Alkene Amide Aryl halide Lactam

Properties

Molecular formula: C₁₁H₈ClNO₂
Molar mass: 221.64 g/mol
Exact mass: 221.0244 Da
logP: 2.08Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage86.7% of notifiers
H319 Causes serious eye irritation13.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 45 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

52845-68-8

SMILES

CC1=C(C=C(C=C1)N2C(=O)C=CC2=O)Cl

InChIKey

XZEWOPDHALLILR-UHFFFAOYSA-N

InChI

InChI=1S/C11H8ClNO2/c1-7-2-3-8(6-9(7)12)13-10(14)4-5-11(13)15/h2-6H,1H3

Weigh it out

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

Names and synonyms

1 names

N-(4-Methyl-3-chlorophenyl)maleimide

Work with 1-(3-Chloro-4-methylphenyl)-2,5-dihydro-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

N,N′-1,3-Phenylenedimaleimide3006-93-758 % similar 1,4-Phenylenebismaleimide3278-31-755 % similar N-(4-Methylphenyl)maleimide1631-28-354 % similar (o-Chlorophenyl)maleimide1203-24-351 % similar 1-(3-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione1204-35-951 % similar 1-(3-Methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione3007-23-649 % similar N-(2,4-Xylyl)maleimide1080-52-048 % similar N-(2,4,6-Trichlorophenyl)maleimide13167-25-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-3-phenylisoxazole-4-carbonyl chloride16883-16-2 2-Chloro-6-methoxyquinoline-3-carboxaldehyde73568-29-3

Elsewhere

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