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326-65-8 molecular structure
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N-(4-fluoro-2-methylphenyl)acetamide

ChemBase ID: 51901
Molecular Formular: C9H10FNO
Molecular Mass: 167.1802032
Monoisotopic Mass: 167.07464217
SMILES and InChIs

SMILES:
N(c1c(cc(cc1)F)C)C(=O)C
Canonical SMILES:
CC(=O)Nc1ccc(cc1C)F
InChI:
InChI=1S/C9H10FNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKey:
RJKWSTDTEPBWBJ-UHFFFAOYSA-N

Cite this record

CBID:51901 http://www.chembase.cn/molecule-51901.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-fluoro-2-methylphenyl)acetamide
IUPAC Traditional name
N-(4-fluoro-2-methylphenyl)acetamide
Synonyms
N-(4-Fluoro-2-methylphenyl)acetamide
CAS Number
326-65-8
MDL Number
MFCD01861997
PubChem SID
162056664
PubChem CID
2737623

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2737623 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.819448  H Acceptors
H Donor LogD (pH = 5.5) 1.8670795 
LogD (pH = 7.4) 1.8670795  Log P 1.8670795 
Molar Refractivity 46.1786 cm3 Polarizability 16.652815 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
114 - 116 °C expand Show data source
114-116°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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