Home > Compound List > Compound details
157491-15-1 molecular structure
click picture or here to close

N-(2,6-dichlorophenyl)-3-methylbenzamide

ChemBase ID: 301098
Molecular Formular: C14H11Cl2NO
Molecular Mass: 280.14924
Monoisotopic Mass: 279.02176934
SMILES and InChIs

SMILES:
Cc1cccc(c1)C(=O)Nc1c(cccc1Cl)Cl
Canonical SMILES:
Cc1cccc(c1)C(=O)Nc1c(Cl)cccc1Cl
InChI:
InChI=1S/C14H11Cl2NO/c1-9-4-2-5-10(8-9)14(18)17-13-11(15)6-3-7-12(13)16/h2-8H,1H3,(H,17,18)
InChIKey:
PISANCSDQOSBCO-UHFFFAOYSA-N

Cite this record

CBID:301098 http://www.chembase.cn/molecule-301098.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2,6-dichlorophenyl)-3-methylbenzamide
IUPAC Traditional name
N-(2,6-dichlorophenyl)-3-methylbenzamide
Synonyms
N-(2,6-Dichlorophenyl)-3-methylbenzamide
CAS Number
157491-15-1
MDL Number
MFCD00442706

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar H59955 external link Add to cart
Data Source Data ID Price
Alfa Aesar
H59955 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.430815  H Acceptors
H Donor LogD (pH = 5.5) 4.786641 
LogD (pH = 7.4) 4.7866373  Log P 4.7866416 
Molar Refractivity 76.2423 cm3 Polarizability 28.46901 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 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