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2-fluoro-N-{[4-(2-methylpropoxy)phenyl]methyl}-N-(pyridin-4-ylmethyl)benzamide

ChemBase ID: 420276
Molecular Formular: C24H25FN2O2
Molecular Mass: 392.4659032
Monoisotopic Mass: 392.19000627
SMILES and InChIs

SMILES:
C(=O)(c1c(F)cccc1)N(Cc1ccc(OCC(C)C)cc1)Cc1ccncc1
Canonical SMILES:
CC(COc1ccc(cc1)CN(C(=O)c1ccccc1F)Cc1ccncc1)C
InChI:
InChI=1S/C24H25FN2O2/c1-18(2)17-29-21-9-7-19(8-10-21)15-27(16-20-11-13-26-14-12-20)24(28)22-5-3-4-6-23(22)25/h3-14,18H,15-17H2,1-2H3
InChIKey:
YEYDJEPMOZKQRN-UHFFFAOYSA-N

Cite this record

CBID:420276 http://www.chembase.cn/molecule-420276.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-N-{[4-(2-methylpropoxy)phenyl]methyl}-N-(pyridin-4-ylmethyl)benzamide
IUPAC Traditional name
2-fluoro-N-{[4-(2-methylpropoxy)phenyl]methyl}-N-(pyridin-4-ylmethyl)benzamide
Synonyms
2-fluoro-N-(4-isobutoxybenzyl)-N-(4-pyridinylmethyl)benzamide

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)
H Acceptors H Donor
LogD (pH = 5.5) 4.6222486  LogD (pH = 7.4) 4.7302265 
Log P 4.731846  Molar Refractivity 112.4219 cm3
Polarizability 42.817635 Å3 Polar Surface Area 42.43 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.04  LOG S -5.43 
Polar Surface Area 42.43 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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