2-Chloro-N-methyl-N-(4-nitro-phenyl)-acetamide

C₉H₉ClN₂O₃CAS 2653-16-9228.63 g/mol

Open in Covalent MOL file

Alkyl halide Amide Nitro

Properties

Molecular formula: C₉H₉ClN₂O₃
Molar mass: 228.63 g/mol
Exact mass: 228.0302 Da
Melting point: 109.5–110 °C
logP: 1.80Crippen estimate
Polar surface area: 63.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H315 Causes skin irritation12.5% of notifiers
H318 Causes serious eye damage12.5% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H335 May cause respiratory irritation12.5% of notifiers

Aggregated from 8 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2653-16-9

SMILES

CN(C(=O)CCl)c1ccc([N+](=O)[O-])cc1

InChIKey

JAWLWNKATJAODJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClN2O3/c1-11(9(13)6-10)7-2-4-8(5-3-7)12(14)15/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

4 names

2-Chloro-N-methyl-N-(4-nitrophenyl)acetamide
Acetamide, 2-chloro-N-methyl-N-(4-nitrophenyl)-
Acetanilide, 2-chloro-N-methyl-4′-nitro-
α-Chloro-N-methyl-p-nitroacetanilide

Work with 2-Chloro-N-methyl-N-(4-nitro-phenyl)-acetamide

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-Chloro-N-methyl-N-phenylacetamide2620-05-557 % similar N,N-Dimethyl-4-nitroaniline100-23-254 % similar 1-(4-Nitrophenyl)piperidin-2-one38560-30-452 % similar 1-(4-Nitrophenyl)-3-methyl-5-pyrazolone6402-09-152 % similar 1-Methyl-4-(4-nitrophenyl)piperazine16155-03-650 % similar 4-Nitro-N,N-bis(4-nitrophenyl)benzenamine20440-93-150 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-150 % similar N-(4-Nitrophenyl)maleimide4338-06-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-((5-chloropyridin-2-yl)amino)-2-oxoacetate349125-08-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook