N-(4-Chloro-2-methylphenyl)-3-oxobutanamide

C₁₁H₁₂ClNO₂CAS 20139-55-3225.67 g/mol

Open in Covalent MOL file

Amide Aryl halide Ketone

Properties

Molecular formula: C₁₁H₁₂ClNO₂
Molar mass: 225.67 g/mol
Exact mass: 225.0557 Da
Melting point: 102 °C
logP: 2.57Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

20139-55-3

SMILES

CC(=O)CC(=O)Nc1ccc(Cl)cc1C

InChIKey

ODFRAIZRJMUPCP-UHFFFAOYSA-N

InChI

InChI=1S/C11H12ClNO2/c1-7-5-9(12)3-4-10(7)13-11(15)6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)

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Names and synonyms

3 names

Butanamide, N-(4-chloro-2-methylphenyl)-3-oxo-
o-Acetoacetotoluidide, 4′-chloro-
NSC 87579

Work with N-(4-Chloro-2-methylphenyl)-3-oxobutanamide

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

4,4'-Bis(o-acetoacetotoluidide)91-96-373 % similar N-(4-Chlorophenyl)-3-oxobutanamide101-92-861 % similar N,N′-1,4-Phenylenebis[3-oxobutanamide]24731-73-550 % similar 5-Chlorooxindole17630-75-049 % similar N-Acetoacetyl cresidine85968-72-548 % similar N-(4-Methylphenyl)-3-oxobutanamide2415-85-248 % similar 7-Chloro-2H-1,4-benzothiazin-3(4H)-one5333-05-146 % similar (4-Chloro-2-methylphenyl)hydrazine hydrochloride19690-59-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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