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MFCD07364274 molecular structure
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2-chloro-N-(3-chloro-2,6-diethylphenyl)acetamide

ChemBase ID: 252404
Molecular Formular: C12H15Cl2NO
Molecular Mass: 260.1596
Monoisotopic Mass: 259.05306947
SMILES and InChIs

SMILES:
c1(c(c(ccc1CC)Cl)CC)NC(=O)CCl
Canonical SMILES:
ClCC(=O)Nc1c(CC)ccc(c1CC)Cl
InChI:
InChI=1S/C12H15Cl2NO/c1-3-8-5-6-10(14)9(4-2)12(8)15-11(16)7-13/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKey:
ZEHVGJXELAOHNY-UHFFFAOYSA-N

Cite this record

CBID:252404 http://www.chembase.cn/molecule-252404.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(3-chloro-2,6-diethylphenyl)acetamide
IUPAC Traditional name
2-chloro-N-(3-chloro-2,6-diethylphenyl)acetamide
Synonyms
2-chloro-N-(3-chloro-2,6-diethylphenyl)acetamide
MDL Number
MFCD07364274
PubChem SID
164308314
PubChem CID
16227202

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-24667 external link Add to cart Please log in.
Data Source Data ID
PubChem 16227202 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.35205  H Acceptors
H Donor LogD (pH = 5.5) 4.268325 
LogD (pH = 7.4) 4.2683244  Log P 4.268325 
Molar Refractivity 69.7634 cm3 Polarizability 26.13031 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)
3.061 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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