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1037953-64-2 molecular structure
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N-(2-fluoro-4-methylphenyl)-2-methoxybenzamide

ChemBase ID: 301031
Molecular Formular: C15H14FNO2
Molecular Mass: 259.2755632
Monoisotopic Mass: 259.10085691
SMILES and InChIs

SMILES:
Cc1ccc(c(c1)F)NC(=O)c1ccccc1OC
Canonical SMILES:
COc1ccccc1C(=O)Nc1ccc(cc1F)C
InChI:
InChI=1S/C15H14FNO2/c1-10-7-8-13(12(16)9-10)17-15(18)11-5-3-4-6-14(11)19-2/h3-9H,1-2H3,(H,17,18)
InChIKey:
BZSWUTBWTRYSMZ-UHFFFAOYSA-N

Cite this record

CBID:301031 http://www.chembase.cn/molecule-301031.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-fluoro-4-methylphenyl)-2-methoxybenzamide
IUPAC Traditional name
N-(2-fluoro-4-methylphenyl)-2-methoxybenzamide
Synonyms
N-(2-Fluoro-4-methylphenyl)-2-methoxybenzamide
CAS Number
1037953-64-2
MDL Number
MFCD07811542

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.013514  H Acceptors
H Donor LogD (pH = 5.5) 3.5635827 
LogD (pH = 7.4) 3.5635726  Log P 3.5635827 
Molar Refractivity 73.3123 cm3 Polarizability 26.881006 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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