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25331-53-7 molecular structure
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2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide

ChemBase ID: 301047
Molecular Formular: C15H12F3NO2
Molecular Mass: 295.2564896
Monoisotopic Mass: 295.08201329
SMILES and InChIs

SMILES:
COc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
Canonical SMILES:
COc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
InChI:
InChI=1S/C15H12F3NO2/c1-21-13-8-3-2-7-12(13)14(20)19-11-6-4-5-10(9-11)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKey:
ARYKDRYRIBEUBS-UHFFFAOYSA-N

Cite this record

CBID:301047 http://www.chembase.cn/molecule-301047.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
IUPAC Traditional name
2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
Synonyms
N-[3-(Trifluoromethyl)phenyl]-2-methoxybenzamide
CAS Number
25331-53-7
MDL Number
MFCD00700882

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.927436  H Acceptors
H Donor LogD (pH = 5.5) 3.785308 
LogD (pH = 7.4) 3.7853067  Log P 3.785308 
Molar Refractivity 74.0284 cm3 Polarizability 26.540157 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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