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34162-22-6 molecular structure
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2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]acetamide

ChemBase ID: 229413
Molecular Formular: C10H10Cl3NO
Molecular Mass: 266.5515
Monoisotopic Mass: 264.98279699
SMILES and InChIs

SMILES:
c1(cc(ccc1CCNC(=O)CCl)Cl)Cl
Canonical SMILES:
ClCC(=O)NCCc1ccc(cc1Cl)Cl
InChI:
InChI=1S/C10H10Cl3NO/c11-6-10(15)14-4-3-7-1-2-8(12)5-9(7)13/h1-2,5H,3-4,6H2,(H,14,15)
InChIKey:
NZTSGBWDNNYGNA-UHFFFAOYSA-N

Cite this record

CBID:229413 http://www.chembase.cn/molecule-229413.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
IUPAC Traditional name
2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
Synonyms
2-Chloro-N-[2-(2,4-dichloro-phenyl)-ethyl]-acetamide
CAS Number
34162-22-6
MDL Number
MFCD03966897
PubChem SID
164285323
PubChem CID
2392342

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-02024 external link Add to cart Please log in.
Data Source Data ID
PubChem 2392342 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.506008  H Acceptors
H Donor LogD (pH = 5.5) 2.9519548 
LogD (pH = 7.4) 2.951925  Log P 2.9519553 
Molar Refractivity 63.093 cm3 Polarizability 24.565876 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
3.058 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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