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682784-98-1 molecular structure
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N-benzyl-2-fluoro-N-phenylbenzamide

ChemBase ID: 300650
Molecular Formular: C20H16FNO
Molecular Mass: 305.3455432
Monoisotopic Mass: 305.12159236
SMILES and InChIs

SMILES:
C(c1ccccc1)N(C(=O)c1c(cccc1)F)c1ccccc1
Canonical SMILES:
Fc1ccccc1C(=O)N(c1ccccc1)Cc1ccccc1
InChI:
InChI=1S/C20H16FNO/c21-19-14-8-7-13-18(19)20(23)22(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKey:
DNHHEHCSAPIQBC-UHFFFAOYSA-N

Cite this record

CBID:300650 http://www.chembase.cn/molecule-300650.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzyl-2-fluoro-N-phenylbenzamide
IUPAC Traditional name
N-benzyl-2-fluoro-N-phenylbenzamide
Synonyms
N-Benzyl-2-fluoro-N-phenylbenzamide
CAS Number
682784-98-1
MDL Number
MFCD00544081

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.796372  LogD (pH = 7.4) 4.796372 
Log P 4.796372  Molar Refractivity 89.5364 cm3
Polarizability 34.02383 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
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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