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2-(4-fluorophenyl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-N-(oxolan-2-ylmethyl)acetamide

ChemBase ID: 320536
Molecular Formular: C26H32F2N2O2
Molecular Mass: 442.5412864
Monoisotopic Mass: 442.24318471
SMILES and InChIs

SMILES:
C(=O)(N(CC1OCCC1)CC1CCN(Cc2c(F)cccc2)CC1)Cc1ccc(F)cc1
Canonical SMILES:
Fc1ccc(cc1)CC(=O)N(CC1CCCO1)CC1CCN(CC1)Cc1ccccc1F
InChI:
InChI=1S/C26H32F2N2O2/c27-23-9-7-20(8-10-23)16-26(31)30(19-24-5-3-15-32-24)17-21-11-13-29(14-12-21)18-22-4-1-2-6-25(22)28/h1-2,4,6-10,21,24H,3,5,11-19H2
InChIKey:
KCESARLRSWSEIO-UHFFFAOYSA-N

Cite this record

CBID:320536 http://www.chembase.cn/molecule-320536.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-fluorophenyl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-N-(oxolan-2-ylmethyl)acetamide
IUPAC Traditional name
2-(4-fluorophenyl)-N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-N-(oxolan-2-ylmethyl)acetamide
Synonyms
N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-2-(4-fluorophenyl)-N-(tetrahydro-2-furanylmethyl)acetamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11020699 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)
H Acceptors H Donor
LogD (pH = 5.5) 1.6775206  LogD (pH = 7.4) 3.4441054 
Log P 4.1672764  Molar Refractivity 122.5504 cm3
Polarizability 46.98408 Å3 Polar Surface Area 32.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.63  LOG S -4.57 
Polar Surface Area 32.78 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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