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N-(2,4-difluorophenyl)-3-{[1-(methoxymethyl)cyclopropyl](methyl)amino}propanamide

ChemBase ID: 370295
Molecular Formular: C15H20F2N2O2
Molecular Mass: 298.3283064
Monoisotopic Mass: 298.14928433
SMILES and InChIs

SMILES:
C1(CC1)(N(CCC(=O)Nc1c(cc(cc1)F)F)C)COC
Canonical SMILES:
COCC1(CC1)N(CCC(=O)Nc1ccc(cc1F)F)C
InChI:
InChI=1S/C15H20F2N2O2/c1-19(15(6-7-15)10-21-2)8-5-14(20)18-13-4-3-11(16)9-12(13)17/h3-4,9H,5-8,10H2,1-2H3,(H,18,20)
InChIKey:
SCYWJUJYIGFYLW-UHFFFAOYSA-N

Cite this record

CBID:370295 http://www.chembase.cn/molecule-370295.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2,4-difluorophenyl)-3-{[1-(methoxymethyl)cyclopropyl](methyl)amino}propanamide
IUPAC Traditional name
N-(2,4-difluorophenyl)-3-{[1-(methoxymethyl)cyclopropyl](methyl)amino}propanamide
Synonyms
N-(2,4-difluorophenyl)-3-[[1-(methoxymethyl)cyclopropyl](methyl)amino]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)
Acid pKa 12.057071  H Acceptors
H Donor LogD (pH = 5.5) -1.1975669 
LogD (pH = 7.4) 0.4266486  Log P 1.967229 
Molar Refractivity 77.6265 cm3 Polarizability 28.994625 Å3
Polar Surface Area 41.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.08  LOG S -3.15 
Polar Surface Area 41.57 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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