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23605-23-4 molecular structure
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2-chloro-N-cyclohexylacetamide

ChemBase ID: 18949
Molecular Formular: C8H14ClNO
Molecular Mass: 175.65586
Monoisotopic Mass: 175.07639175
SMILES and InChIs

SMILES:
C(=O)(NC1CCCCC1)CCl
Canonical SMILES:
ClCC(=O)NC1CCCCC1
InChI:
InChI=1S/C8H14ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h7H,1-6H2,(H,10,11)
InChIKey:
RLFIWYGMZQJEFO-UHFFFAOYSA-N

Cite this record

CBID:18949 http://www.chembase.cn/molecule-18949.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-cyclohexylacetamide
IUPAC Traditional name
2-chloro-N-cyclohexylacetamide
Synonyms
2-chloro-N-cyclohexylacetamide
2-Chloro-N-cyclohexyl-acetamide
CAS Number
23605-23-4
MDL Number
MFCD00085678
PubChem SID
160982256
PubChem CID
222365

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 222365 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.277355  H Acceptors
H Donor LogD (pH = 5.5) 1.5300021 
LogD (pH = 7.4) 1.5300015  Log P 1.5300021 
Molar Refractivity 45.13 cm3 Polarizability 17.796093 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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