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379255-43-3 molecular structure
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2-chloro-N-cyclooctylacetamide

ChemBase ID: 27085
Molecular Formular: C10H18ClNO
Molecular Mass: 203.70902
Monoisotopic Mass: 203.10769188
SMILES and InChIs

SMILES:
C(=O)(NC1CCCCCCC1)CCl
Canonical SMILES:
ClCC(=O)NC1CCCCCCC1
InChI:
InChI=1S/C10H18ClNO/c11-8-10(13)12-9-6-4-2-1-3-5-7-9/h9H,1-8H2,(H,12,13)
InChIKey:
CIBJQCMYTNHWPM-UHFFFAOYSA-N

Cite this record

CBID:27085 http://www.chembase.cn/molecule-27085.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-cyclooctylacetamide
IUPAC Traditional name
2-chloro-N-cyclooctylacetamide
Synonyms
2-Chloro-N-cyclooctylacetamide
CAS Number
379255-43-3
MDL Number
MFCD00751399
PubChem SID
160990392
PubChem CID
4677637

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4677637 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.4829645  H Acceptors
H Donor LogD (pH = 5.5) 2.4191394 
LogD (pH = 7.4) 2.4191391  Log P 2.4191394 
Molar Refractivity 54.332 cm3 Polarizability 21.462008 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

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

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PATENTS

PATENTS

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INTERNET

INTERNET

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