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N'-({4-[(4-fluorophenyl)methoxy]phenyl}methyl)-N'-(pyridin-3-ylmethyl)butanediamide

ChemBase ID: 321300
Molecular Formular: C24H24FN3O3
Molecular Mass: 421.4640632
Monoisotopic Mass: 421.18016986
SMILES and InChIs

SMILES:
N(C(=O)CCC(=O)N)(Cc1cnccc1)Cc1ccc(OCc2ccc(F)cc2)cc1
Canonical SMILES:
NC(=O)CCC(=O)N(Cc1cccnc1)Cc1ccc(cc1)OCc1ccc(cc1)F
InChI:
InChI=1S/C24H24FN3O3/c25-21-7-3-19(4-8-21)17-31-22-9-5-18(6-10-22)15-28(24(30)12-11-23(26)29)16-20-2-1-13-27-14-20/h1-10,13-14H,11-12,15-17H2,(H2,26,29)
InChIKey:
JACQAKKBAWFHKC-UHFFFAOYSA-N

Cite this record

CBID:321300 http://www.chembase.cn/molecule-321300.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N'-({4-[(4-fluorophenyl)methoxy]phenyl}methyl)-N'-(pyridin-3-ylmethyl)butanediamide
IUPAC Traditional name
N'-({4-[(4-fluorophenyl)methoxy]phenyl}methyl)-N'-(pyridin-3-ylmethyl)succinamide
Synonyms
N-{4-[(4-fluorobenzyl)oxy]benzyl}-N-(3-pyridinylmethyl)succinamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.842873  H Acceptors
H Donor LogD (pH = 5.5) 2.3034992 
LogD (pH = 7.4) 2.374752  Log P 2.3757615 
Molar Refractivity 115.3353 cm3 Polarizability 44.25345 Å3
Polar Surface Area 85.52 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.35  LOG S -3.6 
Polar Surface Area 85.52 Å2 Rotatable Bonds 10 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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