Home > Compound List > Compound details
349128-46-7 molecular structure
click picture or here to close

N-(2,4-dimethoxyphenyl)-2-fluorobenzamide

ChemBase ID: 300745
Molecular Formular: C15H14FNO3
Molecular Mass: 275.2749632
Monoisotopic Mass: 275.09577153
SMILES and InChIs

SMILES:
COc1ccc(c(c1)OC)NC(=O)c1ccccc1F
Canonical SMILES:
COc1cc(OC)ccc1NC(=O)c1ccccc1F
InChI:
InChI=1S/C15H14FNO3/c1-19-10-7-8-13(14(9-10)20-2)17-15(18)11-5-3-4-6-12(11)16/h3-9H,1-2H3,(H,17,18)
InChIKey:
STKYLBGUOFDXKQ-UHFFFAOYSA-N

Cite this record

CBID:300745 http://www.chembase.cn/molecule-300745.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2,4-dimethoxyphenyl)-2-fluorobenzamide
IUPAC Traditional name
N-(2,4-dimethoxyphenyl)-2-fluorobenzamide
Synonyms
2-Fluoro-N-(2,4-dimethoxyphenyl)benzamide
CAS Number
349128-46-7
MDL Number
MFCD00750861

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar H59522 external link Add to cart
Data Source Data ID Price
Alfa Aesar
H59522 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.201982  H Acceptors
H Donor LogD (pH = 5.5) 2.89249 
LogD (pH = 7.4) 2.8924835  Log P 2.89249 
Molar Refractivity 74.7343 cm3 Polarizability 27.65865 Å3
Polar Surface Area 47.56 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