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37950-87-1 molecular structure
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4-fluoro-N-methyl-N-phenylbenzamide

ChemBase ID: 299529
Molecular Formular: C14H12FNO
Molecular Mass: 229.2495832
Monoisotopic Mass: 229.09029223
SMILES and InChIs

SMILES:
Fc1ccc(C(=O)N(c2ccccc2)C)cc1
Canonical SMILES:
Fc1ccc(cc1)C(=O)N(c1ccccc1)C
InChI:
InChI=1S/C14H12FNO/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(15)10-8-11/h2-10H,1H3
InChIKey:
GHQGUBZUUFNBBS-UHFFFAOYSA-N

Cite this record

CBID:299529 http://www.chembase.cn/molecule-299529.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-fluoro-N-methyl-N-phenylbenzamide
IUPAC Traditional name
4-fluoro-N-methyl-N-phenylbenzamide
Synonyms
4-Fluoro-N-methyl-N-phenylbenzamide
CAS Number
37950-87-1
PubChem SID
180685060
PubChem CID
669210

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Alfa Aesar
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Data Source Data ID
PubChem 669210 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0718987  LogD (pH = 7.4) 3.0718987 
Log P 3.0718987  Molar Refractivity 64.9238 cm3
Polarizability 24.424309 Å3 Polar Surface Area 20.31 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
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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