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3289-76-7 molecular structure
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2-chloro-N-(2-chlorophenyl)acetamide

ChemBase ID: 26903
Molecular Formular: C8H7Cl2NO
Molecular Mass: 204.05328
Monoisotopic Mass: 202.99046921
SMILES and InChIs

SMILES:
N(c1c(Cl)cccc1)C(=O)CCl
Canonical SMILES:
ClCC(=O)Nc1ccccc1Cl
InChI:
InChI=1S/C8H7Cl2NO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12)
InChIKey:
OPZKPLRTPWUXRN-UHFFFAOYSA-N

Cite this record

CBID:26903 http://www.chembase.cn/molecule-26903.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(2-chlorophenyl)acetamide
IUPAC Traditional name
2,6-dichloroacetanilide
Synonyms
2-Chloro-N-(2-chlorophenyl)acetamide
2,2'-Dichloroacetanilide
N1-(2-chlorophenyl)-2-chloroacetamide
CAS Number
3289-76-7
MDL Number
MFCD00032560
PubChem SID
160990210
PubChem CID
222444

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 222444 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.203595  H Acceptors
H Donor LogD (pH = 5.5) 2.3523445 
LogD (pH = 7.4) 2.352338  Log P 2.3523448 
Molar Refractivity 50.479 cm3 Polarizability 18.97654 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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