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347908-93-4 molecular structure
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N-(2-ethoxyphenyl)-2-fluorobenzamide

ChemBase ID: 300804
Molecular Formular: C15H14FNO2
Molecular Mass: 259.2755632
Monoisotopic Mass: 259.10085691
SMILES and InChIs

SMILES:
CCOc1ccccc1NC(=O)c1ccccc1F
Canonical SMILES:
CCOc1ccccc1NC(=O)c1ccccc1F
InChI:
InChI=1S/C15H14FNO2/c1-2-19-14-10-6-5-9-13(14)17-15(18)11-7-3-4-8-12(11)16/h3-10H,2H2,1H3,(H,17,18)
InChIKey:
USJIWHSXJBOSRR-UHFFFAOYSA-N

Cite this record

CBID:300804 http://www.chembase.cn/molecule-300804.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-ethoxyphenyl)-2-fluorobenzamide
IUPAC Traditional name
N-(2-ethoxyphenyl)-2-fluorobenzamide
Synonyms
N-(2-Ethoxyphenyl)-2-fluorobenzamide
CAS Number
347908-93-4
MDL Number
MFCD00544076

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.326894  H Acceptors
H Donor LogD (pH = 5.5) 3.406969 
LogD (pH = 7.4) 3.4069643  Log P 3.4069693 
Molar Refractivity 73.0197 cm3 Polarizability 26.956587 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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