N-(2-Chlorophenyl)-3-oxobutanamide

C₁₀H₁₀ClNO₂CAS 93-70-9211.64 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₀H₁₀ClNO₂
Molar mass: 211.64 g/mol
Exact mass: 211.0400 Da
Melting point: 107–108 °C
logP: 2.91Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed75.2% of notifiers
H312 Harmful in contact with skin75.2% of notifiers
H315 Causes skin irritation24.8% of notifiers
H319 Causes serious eye irritation24.8% of notifiers
H332 Harmful if inhaled75.2% of notifiers
H335 May cause respiratory irritation24.2% of notifiers
H412 Harmful to aquatic life with long lasting effects75.2% of notifiers

Aggregated from 161 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

93-70-9

SMILES

CC(=O)CC(O)=Nc1ccccc1Cl

InChIKey

BFVHBHKMLIBQNN-UHFFFAOYSA-N

InChI

InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,12,14)

Weigh it out

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

Names and synonyms

14 names · show all

Butanamide, N-(2-chlorophenyl)-3-oxo-
Acetoacetanilide, 2′-chloro-
AAoC
Acetoacet-o-chloroanilide
o-Acetoacetochloroanilide
2′-Chloroacetoacetanilide
o-Chloroacetoacetanilide
Acetoacetyl-o-chloroanilide
N-Acetoacetyl-2-chloroaniline
N-(2-Chlorophenyl)acetoacetamide
Acetoacetyl-2-chloroanilide
Acetoacetic acid 2-chloroanilide
Acetoacetic acid o-chloroanilide
NSC 3913

Work with N-(2-Chlorophenyl)-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

N-(2,5-Dichlorophenyl)-3-oxobutanamide2044-72-673 % similar 2′-Methylacetoacetanilide93-68-567 % similar N-(Acetoacetyl)anthranilic acid35354-86-063 % similar Acetoacetanilide102-01-262 % similar Acetoacet-o-anisidide92-15-962 % similar N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide4433-79-860 % similar N-(2,4-Dimethylphenyl)-3-oxobutanamide97-36-955 % similar N-(2-Chlorophenyl)acetamide533-17-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(4-Chlorophenyl)-3-oxobutanamide101-92-8 p-Chloroacetylacetanilide140-49-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook