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N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-2-(1H-pyrrol-1-yl)propanamide

ChemBase ID: 322879
Molecular Formular: C19H18FN3O2
Molecular Mass: 339.3635232
Monoisotopic Mass: 339.13830505
SMILES and InChIs

SMILES:
c1(c(CNC(=O)C(n2cccc2)C)cccn1)Oc1c(F)cccc1
Canonical SMILES:
O=C(C(n1cccc1)C)NCc1cccnc1Oc1ccccc1F
InChI:
InChI=1S/C19H18FN3O2/c1-14(23-11-4-5-12-23)18(24)22-13-15-7-6-10-21-19(15)25-17-9-3-2-8-16(17)20/h2-12,14H,13H2,1H3,(H,22,24)
InChIKey:
ILXHMIRVUOUOKO-UHFFFAOYSA-N

Cite this record

CBID:322879 http://www.chembase.cn/molecule-322879.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-2-(1H-pyrrol-1-yl)propanamide
IUPAC Traditional name
N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-2-(pyrrol-1-yl)propanamide
Synonyms
N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-2-(1H-pyrrol-1-yl)propanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11353100 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 14.092954  H Acceptors
H Donor LogD (pH = 5.5) 3.4844797 
LogD (pH = 7.4) 3.4845335  Log P 3.4845343 
Molar Refractivity 92.2373 cm3 Polarizability 35.29554 Å3
Polar Surface Area 56.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.27  LOG S -3.61 
Polar Surface Area 56.15 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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