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162104299 molecular structure
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N-(2-aminophenyl)-3-(trifluoromethyl)benzamide

ChemBase ID: 72226
Molecular Formular: C14H11F3N2O
Molecular Mass: 280.2451496
Monoisotopic Mass: 280.08234764
SMILES and InChIs

SMILES:
C(c1cc(C(=O)Nc2c(N)cccc2)ccc1)(F)(F)F
Canonical SMILES:
O=C(c1cccc(c1)C(F)(F)F)Nc1ccccc1N
InChI:
InChI=1S/C14H11F3N2O/c15-14(16,17)10-5-3-4-9(8-10)13(20)19-12-7-2-1-6-11(12)18/h1-8H,18H2,(H,19,20)
InChIKey:
GHMQDKBUBCXCIU-UHFFFAOYSA-N

Cite this record

CBID:72226 http://www.chembase.cn/molecule-72226.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-aminophenyl)-3-(trifluoromethyl)benzamide
IUPAC Traditional name
N-(2-aminophenyl)-3-(trifluoromethyl)benzamide
Synonyms
N-(2-Aminophenyl)-3-(trifluoromethyl)benzamide
PubChem SID
162104299
PubChem CID
572426

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
077849 external link Add to cart Please log in.
Data Source Data ID
PubChem 572426 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.92778  H Acceptors
H Donor LogD (pH = 5.5) 3.112774 
LogD (pH = 7.4) 3.1140246  Log P 3.1140532 
Molar Refractivity 72.2656 cm3 Polarizability 25.150425 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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