CAS 57808-65-8|N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide|N-(5-Chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenyl)-2-hydroxy-3,5-diiodobenzamide...

General Information

Structure

Molecular Formula

C₂₂H₁₄Cl₂I₂N₂O₂

Molecular Mass

663.0737

Exact Mass

661.85217906

Charge

InChI

InChI=1S/C22H14Cl2I2N2O2/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)

InChIKey

JMPFSEBWVLAJKM-UHFFFAOYSA-N

Canonic Smiles

N#CC(c1cc(C)c(cc1Cl)NC(=O)c1cc(I)cc(c1O)I)c1ccc(cc1)Cl

Isomeric Smiles

C(=O)(c1c(c(cc(c1)I)I)O)Nc1c(cc(c(c1)Cl)C(C#N)c1ccc(cc1)Cl)C

Calculated Properties

JChem

Acid pKa

6.412189

H Acceptors

H Donor

LogD (pH = 5.5)

7.6637616

LogD (pH = 7.4)

6.718238

Log P

7.7134523

Molar Refractivity

139.9046

Polarizability

52.6206

Polar Surface Area

73.12

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

IUPAC name

N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide

Synonyms

N-(5-Chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenyl)-2-hydroxy-3,5-diiodobenzamideClosantel氯氰碘柳胺ClosantelN-[5-Chloro-4-(4-chloro-α-cyanobenzyl)-2-methylphenyl]-2-hydroxy-3,5-diiodobenzamide5′-Chloro-4′-(4-chloro-α-cyanobenzyl)-3,5-diiodo-2′-methylsalicylanilide克罗散泰N-[5-氯-4-(4-氯-α-氰基苄基)-2-甲基苯基]-2-羟基-3,5-二碘苯甲酰胺

IUPAC Traditional name

closantel

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

EC Number