N-(4-Chloro-3-nitrophenyl)acetamide

C₈H₇ClN₂O₃CAS 5540-60-3214.60 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₈H₇ClN₂O₃
Molar mass: 214.60 g/mol
Exact mass: 214.0145 Da
Melting point: 147–148 °C
logP: 2.86Crippen estimate
Polar surface area: 75.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

5540-60-3

SMILES

CC(O)=Nc1ccc(Cl)c([N+](=O)[O-])c1

InChIKey

QUMQBQADXFETJW-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClN2O3/c1-5(12)10-6-2-3-7(9)8(4-6)11(13)14/h2-4H,1H3,(H,10,12)

Weigh it out

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Names and synonyms

4 names

Acetamide, N-(4-chloro-3-nitrophenyl)-
Acetanilide, 4′-chloro-3′-nitro-
1-Acetylamino-4-chloro-3-nitrobenzene
4′-Chloro-3′-nitroacetanilide

Work with N-(4-Chloro-3-nitrophenyl)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

5-Acetamido-2-nitrobenzoic acid4368-83-661 % similar N-(3-Nitrophenyl)acetamide122-28-160 % similar Nitroacetanilide104-04-159 % similar 1-Chloro-4-isocyanato-2-nitrobenzene40397-96-458 % similar 1-(4-Chloro-3-nitrophenyl)ethanone5465-65-655 % similar 4-Chloro-3-nitrobenzoic acid96-99-155 % similar N-(3-Amino-4-chlorophenyl)acetamide51867-83-553 % similar 4-Chloro-3-nitrobenzamide16588-06-053 % similar

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

Same formula

2-Chloro-N-(2-nitrophenyl)acetamide10147-70-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook