Benzamide, N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodo-, sodium salt (1:1)

C22H13Cl2I2N2NaO2CAS 61438-64-0685.06 g/mol

NClClNHOIIO−Na+
AmideAryl halideNitrilePhenol

Properties

Molecular formula
C22H13Cl2I2N2NaO2
Molar mass
685.06 g/mol
Exact mass
683.8341 Da
logP
6.74Crippen estimate
Polar surface area
73.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
61438-64-0
SMILES
Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1[O-].[Na+]
InChIKey
OSRFZYBZFCOAGP-UHFFFAOYSA-N
InChI
InChI=1S/C22H14Cl2I2N2O2.Na/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29;/h2-9,17,29H,1H3,(H,28,30);

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Names and synonyms

1 names
  • Benzamide, N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodo-, monosodium salt

Work with Benzamide, N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodo-, sodium salt (1:1)

Similar compounds

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

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