N-(4-Chlorophenyl)-2-cyanoacetamide

C₉H₇ClN₂OCAS 17722-17-7194.62 g/mol

Open in Covalent MOL file

Amide Aryl halide Nitrile

Properties

Molecular formula: C₉H₇ClN₂O
Molar mass: 194.62 g/mol
Exact mass: 194.0247 Da
Melting point: 204 °C
logP: 2.19Crippen estimate
Polar surface area: 52.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P270, P271, 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

17722-17-7

SMILES

N#CCC(=O)Nc1ccc(Cl)cc1

InChIKey

FLLVVAHFEBGZKD-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)

Weigh it out

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

Names and synonyms

8 names

Acetamide, N-(4-chlorophenyl)-2-cyano-
Acetanilide, 4′-chloro-2-cyano-
4′-Chloro-2-cyanoacetanilide
Cyanoacetic acid p-chloroanilide
N-(4-Chlorophenyl)-α-cyanoacetamide
p-Chlorocyanoacetanilide
N-(4-Chlorophenyl)cyanoacetamide
2-Cyano-N-(4-chlorophenyl)-acetamide

Work with N-(4-Chlorophenyl)-2-cyanoacetamide

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

2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide24522-30-362 % similar N-(4-Chlorophenyl)-2-chloroacetamide3289-75-660 % similar 4-Chlorobenzoylacetonitrile4640-66-858 % similar N-(4-Chlorophenyl)-3-oxobutanamide101-92-854 % similar 3-(3-Chlorophenyl)-3-oxopropanenitrile21667-62-946 % similar 3-(4-Chlorophenyl)-1,1-dimethylurea150-68-543 % similar (4-Chlorophenyl)acetonitrile140-53-442 % similar 2-Chloro-β-oxobenzenepropanenitrile40018-25-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole1201-68-9 4-Chloro-2-(1H-pyrazol-3-yl)phenol18704-67-1 4-Chloro-7-methoxyquinazoline55496-52-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook