Home > Compound List > Compound details
349097-71-8 molecular structure
click picture or here to close

3-chloro-N-(2,4-dimethoxyphenyl)propanamide

ChemBase ID: 60530
Molecular Formular: C11H14ClNO3
Molecular Mass: 243.68676
Monoisotopic Mass: 243.06622099
SMILES and InChIs

SMILES:
N(c1c(cc(cc1)OC)OC)C(=O)CCCl
Canonical SMILES:
ClCCC(=O)Nc1ccc(cc1OC)OC
InChI:
InChI=1S/C11H14ClNO3/c1-15-8-3-4-9(10(7-8)16-2)13-11(14)5-6-12/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKey:
FDZXCZHTVPOSTB-UHFFFAOYSA-N

Cite this record

CBID:60530 http://www.chembase.cn/molecule-60530.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-N-(2,4-dimethoxyphenyl)propanamide
IUPAC Traditional name
3-chloro-N-(2,4-dimethoxyphenyl)propanamide
Synonyms
3-Chloro-N-(2,4-dimethoxyphenyl)propanamide
CAS Number
349097-71-8
MDL Number
MFCD02973794
PubChem SID
162026271
PubChem CID
5187352

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5187352 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) 1.6699702 
LogD (pH = 7.4) 1.6699685  Log P 1.6699702 
Molar Refractivity 63.3 cm3 Polarizability 23.95935 Å3
Polar Surface Area 47.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 12.768936 
H Acceptors

PROPERTIES

PROPERTIES

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