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448250-64-4 molecular structure
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2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

ChemBase ID: 26926
Molecular Formular: C10H11Cl2NO3
Molecular Mass: 264.10524
Monoisotopic Mass: 263.01159858
SMILES and InChIs

SMILES:
c1(cc(c(cc1OC)Cl)OC)NC(=O)CCl
Canonical SMILES:
ClCC(=O)Nc1cc(OC)c(cc1OC)Cl
InChI:
InChI=1S/C10H11Cl2NO3/c1-15-8-4-7(13-10(14)5-11)9(16-2)3-6(8)12/h3-4H,5H2,1-2H3,(H,13,14)
InChIKey:
YPJMTYOWJCAHSC-UHFFFAOYSA-N

Cite this record

CBID:26926 http://www.chembase.cn/molecule-26926.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
IUPAC Traditional name
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
Synonyms
2-Chloro-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CAS Number
448250-64-4
MDL Number
MFCD01034345
PubChem SID
160990233
PubChem CID
3752628

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3752628 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.794417  H Acceptors
H Donor LogD (pH = 5.5) 2.0370018 
LogD (pH = 7.4) 2.0369854  Log P 2.037002 
Molar Refractivity 63.4054 cm3 Polarizability 24.097345 Å3
Polar Surface Area 47.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.909 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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