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379255-22-8 molecular structure
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2-chloro-N-[4-(piperidin-1-yl)phenyl]acetamide

ChemBase ID: 11519
Molecular Formular: C13H17ClN2O
Molecular Mass: 252.73988
Monoisotopic Mass: 252.10294085
SMILES and InChIs

SMILES:
c1c(ccc(c1)NC(=O)CCl)N1CCCCC1
Canonical SMILES:
ClCC(=O)Nc1ccc(cc1)N1CCCCC1
InChI:
InChI=1S/C13H17ClN2O/c14-10-13(17)15-11-4-6-12(7-5-11)16-8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,15,17)
InChIKey:
MHJOHHYWAINXBF-UHFFFAOYSA-N

Cite this record

CBID:11519 http://www.chembase.cn/molecule-11519.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-[4-(piperidin-1-yl)phenyl]acetamide
IUPAC Traditional name
2-chloro-N-[4-(piperidin-1-yl)phenyl]acetamide
Synonyms
2-Chloro-N-(4-piperidin-1-yl-phenyl)-acetamide
CAS Number
379255-22-8
MDL Number
MFCD03119623
PubChem SID
160974826
PubChem CID
821975

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 821975 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.826639  H Acceptors
H Donor LogD (pH = 5.5) 2.542382 
LogD (pH = 7.4) 2.7042017  Log P 2.70671 
Molar Refractivity 72.2448 cm3 Polarizability 26.650288 Å3
Polar Surface Area 32.34 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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