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223143-72-3 molecular structure
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2-(2H3)methyl-N-[4-nitro-3-(trifluoromethyl)phenyl](2H4)propanamide

ChemBase ID: 169295
Molecular Formular: C11H11F3N2O3
Molecular Mass: 276.2118496
Monoisotopic Mass: 276.07217688
SMILES and InChIs

SMILES:
c1(ccc(cc1C(F)(F)F)NC(=O)C(C)C)[N+](=O)[O-]
Canonical SMILES:
O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
InChI:
InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
InChIKey:
MKXKFYHWDHIYRV-UHFFFAOYSA-N

Cite this record

CBID:169295 http://www.chembase.cn/molecule-169295.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2H3)methyl-N-[4-nitro-3-(trifluoromethyl)phenyl](2H4)propanamide
IUPAC Traditional name
2-(2H3)methyl-N-[4-nitro-3-(trifluoromethyl)phenyl](2H4)propanamide
Synonyms
2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide-d7
N-[(Isopropyl-d7)carbonyl]-4-nitro-3-trifluoromethylaniline
Sch 13521-d7
4'-Nitro-3'-trifluoromethylisobutyranilide-d7
Drognil-d7
Euflex-d7
Eulexin-d7
Flutamide-d7
CAS Number
223143-72-3
PubChem SID
162263427
PubChem CID
10802904

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC F598852 external link Add to cart
PubChem 10802904 external link
Data Source Data ID Price
TRC
F598852 external link Add to cart Please log in.
Data Source Data ID
PubChem 10802904 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.17286  H Acceptors
H Donor LogD (pH = 5.5) 3.272311 
LogD (pH = 7.4) 3.2723103  Log P 3.272311 
Molar Refractivity 63.4208 cm3 Polarizability 22.133892 Å3
Polar Surface Area 74.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Yellow Solid expand Show data source
Melting Point
106-108°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - F598852 external link
Labelled Flutamide (F598850). Flutamide is a nonsteroidal antiandrogen drug; antineoplastic (hormonal).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Neri, et al.: Endocrinology, 91, 427 (1972)
  • • Sogani, P.C., et al.: J. Urol., 122, 640 (1972)
  • • Greenway, B.A., et al.: Br. Med. J., 316, 1935 (1972)
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PATENTS

PATENTS

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INTERNET

INTERNET

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