chempirical

Rafoxanide

C19H11Cl2I2NO3CAS 22662-39-1626.01 g/mol

Open in Covalent MOL file
OHNOClClIIOH
Aryl halideEtherPhenol

Properties

Molecular formula
C19H11Cl2I2NO3
Molar mass
626.01 g/mol
Exact mass
624.8205 Da
Melting point
169 °C
logP
7.34Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
22662-39-1
SMILES
OC(=Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(I)cc(I)c1O
InChIKey
NEMNPWINWMHUMR-UHFFFAOYSA-N
InChI
InChI=1S/C19H11Cl2I2NO3/c20-10-1-4-13(5-2-10)27-17-6-3-12(9-15(17)21)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26)

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Names and synonyms

10 names
  • Benzamide, N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-diiodo-
  • Salicylanilide, 3′-chloro-4′-(p-chlorophenoxy)-3,5-diiodo-
  • N-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-diiodobenzamide
  • 3,5-Diiodo-3′-chloro-4′-(p-chlorophenoxy)salicylanilide
  • 3,5-Diodo-3′-chloro-4′-(p-chlorophenoxy)salicylanilide
  • Ranide
  • 3′-Chloro-4′-(p-chlorophenoxy)-3,5-diiodosalicylanilide
  • 3′-Chloro-4′-(4-chlorophenoxy)-3,5-diiodosalicylanilide
  • Disalan
  • NSC 355278

Work with Rafoxanide

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

4-Amino-2,4′-dichlorodiphenyl ether24900-79-639 % similar 4-(2,4-Dichlorophenoxy)aniline14861-17-737 % similar Closantel57808-65-835 % similar 2,4′-Dichloro-4-nitrodiphenyl ether22544-07-635 % similar Pigment red 26041-94-734 % similar Nitrofen1836-75-533 % similar Triclosan3380-34-533 % similar 5-Chlorosalicylanilide4638-48-632 % similar

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

Elsewhere

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