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(2R)-1-(2-methyl-1-benzofuran-5-carbonyl)pyrrolidine-2-carboxamide

ChemBase ID: 341698
Molecular Formular: C15H16N2O3
Molecular Mass: 272.29914
Monoisotopic Mass: 272.11609238
SMILES and InChIs

SMILES:
N1(C(=O)c2cc3cc(oc3cc2)C)[C@@H](C(=O)N)CCC1
Canonical SMILES:
NC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)cc(o2)C
InChI:
InChI=1S/C15H16N2O3/c1-9-7-11-8-10(4-5-13(11)20-9)15(19)17-6-2-3-12(17)14(16)18/h4-5,7-8,12H,2-3,6H2,1H3,(H2,16,18)/t12-/m1/s1
InChIKey:
RXHUNPSFQGUILV-GFCCVEGCSA-N

Cite this record

CBID:341698 http://www.chembase.cn/molecule-341698.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-1-(2-methyl-1-benzofuran-5-carbonyl)pyrrolidine-2-carboxamide
IUPAC Traditional name
(2R)-1-(2-methyl-1-benzofuran-5-carbonyl)pyrrolidine-2-carboxamide
Synonyms
1-[(2-methyl-1-benzofuran-5-yl)carbonyl]-D-prolinamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14055094 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 15.369807  H Acceptors
H Donor LogD (pH = 5.5) 0.9187174 
LogD (pH = 7.4) 0.91871744  Log P 0.91871744 
Molar Refractivity 74.1137 cm3 Polarizability 28.990437 Å3
Polar Surface Area 76.54 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.1  LOG S -2.41 
Polar Surface Area 76.54 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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