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824979-40-0 molecular structure
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N-(2,5-difluorophenyl)-2-methoxybenzamide

ChemBase ID: 300543
Molecular Formular: C14H11F2NO2
Molecular Mass: 263.2394464
Monoisotopic Mass: 263.07578504
SMILES and InChIs

SMILES:
COc1ccccc1C(=O)Nc1cc(ccc1F)F
Canonical SMILES:
COc1ccccc1C(=O)Nc1cc(F)ccc1F
InChI:
InChI=1S/C14H11F2NO2/c1-19-13-5-3-2-4-10(13)14(18)17-12-8-9(15)6-7-11(12)16/h2-8H,1H3,(H,17,18)
InChIKey:
SLAUIJXVXZSIMF-UHFFFAOYSA-N

Cite this record

CBID:300543 http://www.chembase.cn/molecule-300543.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2,5-difluorophenyl)-2-methoxybenzamide
IUPAC Traditional name
N-(2,5-difluorophenyl)-2-methoxybenzamide
Synonyms
N-(2,5-Difluorophenyl)-2-methoxybenzamide
CAS Number
824979-40-0
MDL Number
MFCD04680217

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.07498  H Acceptors
H Donor LogD (pH = 5.5) 3.192862 
LogD (pH = 7.4) 3.192776  Log P 3.1928632 
Molar Refractivity 68.4875 cm3 Polarizability 24.85246 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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