CAS 32809-16-8|Procymidone|procymidone|3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione|Procymidone|腐霉利|Sumisclex|Sumilex|Kenolex|1,2-Dimethyl-N-(3,5-dichlorophenyl)cyclopr...

General Information

Structure

Molecular Formula

C₁₃H₁₁Cl₂NO₂

Molecular Mass

284.13794

Exact Mass

283.01668396

Charge

InChI

InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3

InChIKey

QXJKBPAVAHBARF-UHFFFAOYSA-N

Canonic Smiles

O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C

Isomeric Smiles

Clc1cc(cc(Cl)c1)N1C(=O)C2(C)CC2(C)C1=O

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.385959

LogD (pH = 7.4)

3.385959

Log P

3.385959

Molar Refractivity

68.3131

Polarizability

26.85266

Polar Surface Area

37.38

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

ProcymidoneProcymidone腐霉利SumisclexSumilex1,2-Dimethyl-N-(3,5-dichlorophenyl)cyclopropanedicarboximideKenolexProcymidoxProcymidoxSalithiexProcilexDicyclidineSialexProcymidone3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dioneProcymidor

IUPAC Traditional name

procymidone

IUPAC name

3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

Names and Identifiers

Registration numbers

CHEMBL

513678

Wikipedia Title

Procymidone

KEGG ID

C10986