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N-(1,3-dihydro-2-benzofuran-5-yl)-2-(pyrrolidin-3-yl)benzamide

ChemBase ID: 341651
Molecular Formular: C19H20N2O2
Molecular Mass: 308.3743
Monoisotopic Mass: 308.15247789
SMILES and InChIs

SMILES:
C(=O)(c1c(C2CNCC2)cccc1)Nc1cc2c(cc1)COC2
Canonical SMILES:
O=C(c1ccccc1C1CCNC1)Nc1ccc2c(c1)COC2
InChI:
InChI=1S/C19H20N2O2/c22-19(21-16-6-5-14-11-23-12-15(14)9-16)18-4-2-1-3-17(18)13-7-8-20-10-13/h1-6,9,13,20H,7-8,10-12H2,(H,21,22)
InChIKey:
GMDWRQNQJORSIG-UHFFFAOYSA-N

Cite this record

CBID:341651 http://www.chembase.cn/molecule-341651.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1,3-dihydro-2-benzofuran-5-yl)-2-(pyrrolidin-3-yl)benzamide
IUPAC Traditional name
N-(1,3-dihydro-2-benzofuran-5-yl)-2-(pyrrolidin-3-yl)benzamide
Synonyms
N-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-pyrrolidinyl)benzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14049116 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 14.069318  H Acceptors
H Donor LogD (pH = 5.5) -0.8038616 
LogD (pH = 7.4) -0.43184724  Log P 2.4305847 
Molar Refractivity 92.4562 cm3 Polarizability 34.65769 Å3
Polar Surface Area 50.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.7  LOG S -2.9 
Polar Surface Area 50.36 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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