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541536-23-6 molecular structure
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2-fluoro-N,N-bis(2-methylpropyl)benzamide

ChemBase ID: 300512
Molecular Formular: C15H22FNO
Molecular Mass: 251.3396832
Monoisotopic Mass: 251.16854255
SMILES and InChIs

SMILES:
CC(C)CN(CC(C)C)C(=O)c1ccccc1F
Canonical SMILES:
CC(CN(C(=O)c1ccccc1F)CC(C)C)C
InChI:
InChI=1S/C15H22FNO/c1-11(2)9-17(10-12(3)4)15(18)13-7-5-6-8-14(13)16/h5-8,11-12H,9-10H2,1-4H3
InChIKey:
POBJREIETHJNFR-UHFFFAOYSA-N

Cite this record

CBID:300512 http://www.chembase.cn/molecule-300512.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-N,N-bis(2-methylpropyl)benzamide
IUPAC Traditional name
2-fluoro-N,N-bis(2-methylpropyl)benzamide
Synonyms
2-Fluoro-N,N-diisobutylbenzamide
CAS Number
541536-23-6
MDL Number
MFCD03366569

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) 3.9025464  LogD (pH = 7.4) 3.9025466 
Log P 3.9025466  Molar Refractivity 72.6346 cm3
Polarizability 27.543222 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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