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4-(4-chlorophenoxy)-N-(2,2-difluoroethyl)piperidine-4-carboxamide

ChemBase ID: 340900
Molecular Formular: C14H17ClF2N2O2
Molecular Mass: 318.7467864
Monoisotopic Mass: 318.09466191
SMILES and InChIs

SMILES:
C1(C(=O)NCC(F)F)(Oc2ccc(Cl)cc2)CCNCC1
Canonical SMILES:
FC(CNC(=O)C1(CCNCC1)Oc1ccc(cc1)Cl)F
InChI:
InChI=1S/C14H17ClF2N2O2/c15-10-1-3-11(4-2-10)21-14(5-7-18-8-6-14)13(20)19-9-12(16)17/h1-4,12,18H,5-9H2,(H,19,20)
InChIKey:
FKYAPXYDIMEUOP-UHFFFAOYSA-N

Cite this record

CBID:340900 http://www.chembase.cn/molecule-340900.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-chlorophenoxy)-N-(2,2-difluoroethyl)piperidine-4-carboxamide
IUPAC Traditional name
4-(4-chlorophenoxy)-N-(2,2-difluoroethyl)piperidine-4-carboxamide
Synonyms
4-(4-chlorophenoxy)-N-(2,2-difluoroethyl)piperidine-4-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13945034 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.446912  H Acceptors
H Donor LogD (pH = 5.5) -1.5331569 
LogD (pH = 7.4) -0.5137173  Log P 1.3391916 
Molar Refractivity 74.8861 cm3 Polarizability 29.169645 Å3
Polar Surface Area 50.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.76  LOG S -3.03 
Polar Surface Area 50.36 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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