Home > Compound List > Compound details
61655-97-8 molecular structure
click picture or here to close

N-(2,4-dichloro-6-methylphenyl)acetamide

ChemBase ID: 73986
Molecular Formular: C9H9Cl2NO
Molecular Mass: 218.07986
Monoisotopic Mass: 217.00611927
SMILES and InChIs

SMILES:
N(c1c(cc(cc1C)Cl)Cl)C(=O)C
Canonical SMILES:
CC(=O)Nc1c(C)cc(cc1Cl)Cl
InChI:
InChI=1S/C9H9Cl2NO/c1-5-3-7(10)4-8(11)9(5)12-6(2)13/h3-4H,1-2H3,(H,12,13)
InChIKey:
RLYJHSPRTRAQFE-UHFFFAOYSA-N

Cite this record

CBID:73986 http://www.chembase.cn/molecule-73986.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2,4-dichloro-6-methylphenyl)acetamide
IUPAC Traditional name
N-(2,4-dichloro-6-methylphenyl)acetamide
Synonyms
2,4-Dichloro-6-methylacetanilide
N1-(2,4-dichloro-6-methylphenyl)acetamide
CAS Number
61655-97-8
MDL Number
MFCD00833408
PubChem SID
162038905
PubChem CID
297912

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 297912 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.915567  H Acceptors
H Donor LogD (pH = 5.5) 2.932467 
LogD (pH = 7.4) 2.9324656  Log P 2.932467 
Molar Refractivity 55.5718 cm3 Polarizability 20.774355 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
174-176°C expand Show data source
Storage Warning
Irritant expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle