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348165-47-9 molecular structure
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3-amino-4-fluoro-N-methoxybenzamide

ChemBase ID: 815582
Molecular Formular: C8H9FN2O2
Molecular Mass: 184.1676632
Monoisotopic Mass: 184.06480576
SMILES and InChIs

SMILES:
c1(cc(c(cc1)F)N)C(=O)NOC
Canonical SMILES:
CONC(=O)c1ccc(c(c1)N)F
InChI:
InChI=1S/C8H9FN2O2/c1-13-11-8(12)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3,(H,11,12)
InChIKey:
VTAXISHFQUXLIT-UHFFFAOYSA-N

Cite this record

CBID:815582 http://www.chembase.cn/molecule-815582.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-4-fluoro-N-methoxybenzamide
IUPAC Traditional name
3-amino-4-fluoro-N-methoxybenzamide
Synonyms
3-amino-4-fluoro-N-methoxybenzamide
CAS Number
348165-47-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37916 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37916 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.553512  H Acceptors
H Donor LogD (pH = 5.5) 0.51241785 
LogD (pH = 7.4) 0.5124381  Log P 0.5124411 
Molar Refractivity 46.3001 cm3 Polarizability 16.621523 Å3
Polar Surface Area 64.35 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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