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3-(3,4-difluorophenyl)-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]propanamide

ChemBase ID: 370768
Molecular Formular: C19H22F2N2O
Molecular Mass: 332.3875864
Monoisotopic Mass: 332.17001977
SMILES and InChIs

SMILES:
C(=O)(N(C(Cc1nccc(c1)C)C)C)CCc1cc(c(cc1)F)F
Canonical SMILES:
Cc1ccnc(c1)CC(N(C(=O)CCc1ccc(c(c1)F)F)C)C
InChI:
InChI=1S/C19H22F2N2O/c1-13-8-9-22-16(10-13)11-14(2)23(3)19(24)7-5-15-4-6-17(20)18(21)12-15/h4,6,8-10,12,14H,5,7,11H2,1-3H3
InChIKey:
ITQHLCXHQLYZCL-UHFFFAOYSA-N

Cite this record

CBID:370768 http://www.chembase.cn/molecule-370768.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3,4-difluorophenyl)-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]propanamide
IUPAC Traditional name
3-(3,4-difluorophenyl)-N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]propanamide
Synonyms
3-(3,4-difluorophenyl)-N-methyl-N-[1-methyl-2-(4-methylpyridin-2-yl)ethyl]propanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 3.5393963  LogD (pH = 7.4) 3.7334595 
Log P 3.7366579  Molar Refractivity 90.1079 cm3
Polarizability 34.211533 Å3 Polar Surface Area 33.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.92  LOG S -2.82 
Polar Surface Area 33.2 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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