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N-cyclopentyl-4-(3-fluorophenyl)-N-{[4-(oxolan-3-yloxy)phenyl]methyl}benzamide

ChemBase ID: 341092
Molecular Formular: C29H30FNO3
Molecular Mass: 459.5518032
Monoisotopic Mass: 459.22097205
SMILES and InChIs

SMILES:
C(=O)(N(Cc1ccc(OC2CCOC2)cc1)C1CCCC1)c1ccc(c2cc(F)ccc2)cc1
Canonical SMILES:
Fc1cccc(c1)c1ccc(cc1)C(=O)N(C1CCCC1)Cc1ccc(cc1)OC1CCOC1
InChI:
InChI=1S/C29H30FNO3/c30-25-5-3-4-24(18-25)22-10-12-23(13-11-22)29(32)31(26-6-1-2-7-26)19-21-8-14-27(15-9-21)34-28-16-17-33-20-28/h3-5,8-15,18,26,28H,1-2,6-7,16-17,19-20H2
InChIKey:
HFOCGARIFCYYSO-UHFFFAOYSA-N

Cite this record

CBID:341092 http://www.chembase.cn/molecule-341092.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopentyl-4-(3-fluorophenyl)-N-{[4-(oxolan-3-yloxy)phenyl]methyl}benzamide
IUPAC Traditional name
N-cyclopentyl-4-(3-fluorophenyl)-N-{[4-(oxolan-3-yloxy)phenyl]methyl}benzamide
Synonyms
N-cyclopentyl-3'-fluoro-N-[4-(tetrahydro-3-furanyloxy)benzyl]-4-biphenylcarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13972166 external link Add to cart
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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) 5.8838954  LogD (pH = 7.4) 5.8838954 
Log P 5.8838954  Molar Refractivity 131.3815 cm3
Polarizability 51.676575 Å3 Polar Surface Area 38.77 Å2
Rotatable Bonds Lipinski's Rule of Five false 
H Acceptors H Donor
Log P 5.97  LOG S -6.82 
Polar Surface Area 38.77 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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