Home > Compound List > Compound details
449170-55-2 molecular structure
click picture or here to close

3-chloro-N-(3-chloro-4-methoxyphenyl)propanamide

ChemBase ID: 239778
Molecular Formular: C10H11Cl2NO2
Molecular Mass: 248.10584
Monoisotopic Mass: 247.01668396
SMILES and InChIs

SMILES:
C(=O)(Nc1cc(c(cc1)OC)Cl)CCCl
Canonical SMILES:
ClCCC(=O)Nc1ccc(c(c1)Cl)OC
InChI:
InChI=1S/C10H11Cl2NO2/c1-15-9-3-2-7(6-8(9)12)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKey:
YVVAEZYWJZHVSC-UHFFFAOYSA-N

Cite this record

CBID:239778 http://www.chembase.cn/molecule-239778.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-N-(3-chloro-4-methoxyphenyl)propanamide
IUPAC Traditional name
3-chloro-N-(3-chloro-4-methoxyphenyl)propanamide
Synonyms
3-chloro-N-(3-chloro-4-methoxyphenyl)propanamide
CAS Number
449170-55-2
MDL Number
MFCD02965613
PubChem SID
164295688
PubChem CID
7787102

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7787102 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.366991  H Acceptors
H Donor LogD (pH = 5.5) 2.4316862 
LogD (pH = 7.4) 2.4316862  Log P 2.4316862 
Molar Refractivity 61.6416 cm3 Polarizability 23.359676 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.509 expand Show data source
Purity
95% 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