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65847-73-6 molecular structure
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N-(1-benzofuran-2-yl)acetamide

ChemBase ID: 815567
Molecular Formular: C10H9NO2
Molecular Mass: 175.18396
Monoisotopic Mass: 175.06332853
SMILES and InChIs

SMILES:
CC(=O)Nc1oc2c(c1)cccc2
Canonical SMILES:
CC(=O)Nc1cc2c(o1)cccc2
InChI:
InChI=1S/C10H9NO2/c1-7(12)11-10-6-8-4-2-3-5-9(8)13-10/h2-6H,1H3,(H,11,12)
InChIKey:
TYFTYPUMKHGTKI-UHFFFAOYSA-N

Cite this record

CBID:815567 http://www.chembase.cn/molecule-815567.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1-benzofuran-2-yl)acetamide
IUPAC Traditional name
N-(1-benzofuran-2-yl)acetamide
Synonyms
N-(benzofuran-2-yl)acetamide
CAS Number
65847-73-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37897 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37897 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.794732  H Acceptors
H Donor LogD (pH = 5.5) 1.4593496 
LogD (pH = 7.4) 1.4577112  Log P 1.4593706 
Molar Refractivity 49.0154 cm3 Polarizability 19.58839 Å3
Polar Surface Area 42.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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