CAS 1477-57-2|N,N'-Octa-methylene-<i>bis</i> [2,2-dichloroacetamide], Fertilysin'|N,N'-OCTAMETHYLENEBIS(2,2-DICHLOROACETAMIDE)|2,2-dichloro-N-[8-(2,2-dichloroacetamido)octyl]acetamide|N,N'-<i>bis</i...

General Information

Structure

Molecular Formula

C₁₂H₂₀Cl₄N₂O₂

Molecular Mass

366.1114

Exact Mass

364.02788861

Charge

InChI

InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)

InChIKey

FAOMZVDZARKPFJ-UHFFFAOYSA-N

Canonic Smiles

ClC(C(=O)NCCCCCCCCNC(=O)C(Cl)Cl)Cl

Isomeric Smiles

ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl

Calculated Properties

JChem

Acid pKa

10.694251

H Acceptors

H Donor

LogD (pH = 5.5)

3.1339018

LogD (pH = 7.4)

3.133709

Log P

3.1339042

Molar Refractivity

84.6218

Polarizability

32.83079

Polar Surface Area

58.2

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N,N'-Octa-methylene-bis [2,2-dichloroacetamide], Fertilysin'N,N'-OCTAMETHYLENEBIS(2,2-DICHLOROACETAMIDE)N,N'-bis [dichloroacetyl]-1,8-octamethylenediamineN,N′-八亚甲基双(2,2-二氯乙酰胺)N,N′-Bis(dichloroacetyl)-1,8-octamethylenediamineN,N′-Octamethylenebis(dichloroacetamide)N,N′-双(二氯乙酰基)-1,8-八亚甲基二胺Fertilysin™N,N′-Octamethylenebis(2,2-dichloroacetamide)N,N′-八亚甲基双二氯乙酰胺

IUPAC Traditional name

2,2-dichloro-N-[8-(2,2-dichloroacetamido)octyl]acetamide

IUPAC name

2,2-dichloro-N-[8-(2,2-dichloroacetamido)octyl]acetamide

Names and Identifiers

Registration numbers

CAS Number

1477-57-2

EC Number

216-033-0

MDL Number

MFCD00000841