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50911-69-8 molecular structure
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2-chloro-N-[2-(4-chlorophenoxy)ethyl]acetamide

ChemBase ID: 251654
Molecular Formular: C10H11Cl2NO2
Molecular Mass: 248.10584
Monoisotopic Mass: 247.01668396
SMILES and InChIs

SMILES:
C(=O)(NCCOc1ccc(Cl)cc1)CCl
Canonical SMILES:
ClCC(=O)NCCOc1ccc(cc1)Cl
InChI:
InChI=1S/C10H11Cl2NO2/c11-7-10(14)13-5-6-15-9-3-1-8(12)2-4-9/h1-4H,5-7H2,(H,13,14)
InChIKey:
QNUCQOGPLCNZNB-UHFFFAOYSA-N

Cite this record

CBID:251654 http://www.chembase.cn/molecule-251654.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-[2-(4-chlorophenoxy)ethyl]acetamide
IUPAC Traditional name
2-chloro-N-[2-(4-chlorophenoxy)ethyl]acetamide
Synonyms
2-chloro-N-[2-(4-chlorophenoxy)ethyl]acetamide
CAS Number
50911-69-8
MDL Number
MFCD08142391
PubChem SID
164307564
PubChem CID
5312099

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-23219 external link Add to cart Please log in.
Data Source Data ID
PubChem 5312099 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.030247  H Acceptors
H Donor LogD (pH = 5.5) 1.9788257 
LogD (pH = 7.4) 1.9788169  Log P 1.9788258 
Molar Refractivity 59.4728 cm3 Polarizability 23.347372 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
308 - 310°C expand Show data source
Hydrophobicity(logP)
2.618 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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