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2-acetamido-N-({5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl}methyl)acetamide

ChemBase ID: 470672
Molecular Formular: C20H19F3N2O4
Molecular Mass: 408.3710696
Monoisotopic Mass: 408.12969176
SMILES and InChIs

SMILES:
C(Oc1cc(c2cc3c(OC(C3)CNC(=O)CNC(=O)C)cc2)ccc1)(F)(F)F
Canonical SMILES:
O=C(CNC(=O)C)NCC1Cc2c(O1)ccc(c2)c1cccc(c1)OC(F)(F)F
InChI:
InChI=1S/C20H19F3N2O4/c1-12(26)24-11-19(27)25-10-17-9-15-7-14(5-6-18(15)28-17)13-3-2-4-16(8-13)29-20(21,22)23/h2-8,17H,9-11H2,1H3,(H,24,26)(H,25,27)
InChIKey:
QDSTVGLNYDYDSX-UHFFFAOYSA-N

Cite this record

CBID:470672 http://www.chembase.cn/molecule-470672.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-acetamido-N-({5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl}methyl)acetamide
IUPAC Traditional name
2-acetamido-N-({5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl}methyl)acetamide
Synonyms
N~2~-acetyl-N~1~-({5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl}methyl)glycinamide

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 13.012793  H Acceptors
H Donor LogD (pH = 5.5) 2.9101467 
LogD (pH = 7.4) 2.9101458  Log P 2.9101467 
Molar Refractivity 93.9046 cm3 Polarizability 38.283375 Å3
Polar Surface Area 76.66 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.56  LOG S -4.57 
Polar Surface Area 76.66 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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