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MFCD04039134 molecular structure
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N-[4-(5-methylfuran-2-yl)phenyl]acetamide

ChemBase ID: 91743
Molecular Formular: C13H13NO2
Molecular Mass: 215.24782
Monoisotopic Mass: 215.09462866
SMILES and InChIs

SMILES:
o1c(ccc1C)c1ccc(cc1)NC(=O)C
Canonical SMILES:
CC(=O)Nc1ccc(cc1)c1ccc(o1)C
InChI:
InChI=1S/C13H13NO2/c1-9-3-8-13(16-9)11-4-6-12(7-5-11)14-10(2)15/h3-8H,1-2H3,(H,14,15)
InChIKey:
PLSUIKCRJUAWAV-UHFFFAOYSA-N

Cite this record

CBID:91743 http://www.chembase.cn/molecule-91743.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(5-methylfuran-2-yl)phenyl]acetamide
IUPAC Traditional name
N-[4-(5-methylfuran-2-yl)phenyl]acetamide
Synonyms
N-[4-(5-Methyl-2-furyl)phenyl}acetamide
MDL Number
MFCD04039134
PubChem SID
162078442
PubChem CID
4186982

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR7561 external link Add to cart Please log in.
Data Source Data ID
PubChem 4186982 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.013975  H Acceptors
H Donor LogD (pH = 5.5) 2.1179895 
LogD (pH = 7.4) 2.1179893  Log P 2.1179895 
Molar Refractivity 63.5978 cm3 Polarizability 24.79718 Å3
Polar Surface Area 42.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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