chempirical

2-Chloro-5-nitrobenzanilide

C13H9ClN2O3CAS 22978-25-2276.68 g/mol

Open in Covalent MOL file
ON+O−ClONH
Aryl halideNitro

Properties

Molecular formula
C13H9ClN2O3
Molar mass
276.68 g/mol
Exact mass
276.0302 Da
Melting point
158 °C
logP
3.88Crippen estimate
Polar surface area
75.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
22978-25-2
SMILES
O=[N+]([O-])c1ccc(Cl)c(C(O)=Nc2ccccc2)c1
InChIKey
DNTSIBUQMRRYIU-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)

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Names and synonyms

5 names
  • Benzamide, 2-chloro-5-nitro-N-phenyl-
  • Benzanilide, 2-chloro-5-nitro-
  • 2-Chloro-5-nitro-N-phenylbenzamide
  • GW 9662
  • GW 9622

Work with 2-Chloro-5-nitrobenzanilide

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-5-nitrobenzoic acid2516-96-360 % similar 2-Chloro-5-nitrobenzophenone34052-37-460 % similar 3-Hydroxy-N-(3-nitrophenyl)-2-naphthalenecarboxamide135-65-957 % similar 2-Chloro-5-nitrobenzoyl chloride25784-91-254 % similar 2′-Chloro-5′-nitroacetophenone23082-50-053 % similar Clonazepam1622-61-352 % similar Niclosamide50-65-750 % similar Methyl 2-chloro-5-nitrobenzoate6307-82-050 % similar

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

Same formula

2-Amino-5-nitro-2′-chlorobenzophenone2011-66-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook