General Information of the Compound
Compound ID
CP0037400
Compound Name
2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
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Synonyms
1A Brand of Flutamide
2-Methyl-N-(4-nitro-3-[trifluoromethyl]phenyl)propanamide
2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
2-Methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide
4'-Nitro-3'-(trifluoromethyl)isobutyranilide
4'-Nitro-3'-trifluoromethylisobutyramilide
4'-Nitro-3'-trifluoromethylisobutyranilide
4-Nitro-3-(trifluoromethyl)isobutyranilide
Alpha,alpha,alpha-Trifluoro-2-methyl-4'-nitro-m-propionotoluidide
Alphapharm Brand of Flutamide
Apimid
Apo Flutamide
Apo-Flutamide
ApoFlutamide
Apogepha Brand of Flutamide
Apotex Brand of Flutamide
Azupharma Brand of Flutamide
Cebatrol
Cebatrol, veterinary
Cell pharm Brand of Flutamide
Chephasaar Brand of Flutamide
Chimax
Chiron Brand of Flutamide
Ciclum Brand of Flutamide
Cytamid
Drogenil
Esparma Brand of Flutamide
Essex Brand of Flutamide
Eulexin
Eulexin (TN)
Eulexin, Flutamin, Drogenil,Flutamide
Eulexine
F 9397
F0663
Fluken
Flulem
Flumid
Fluta 1A Pharma
Fluta GRY
Fluta cell
Fluta-GRY
Fluta-cell
FlutaGRY
Flutacell
Flutamida
Flutamida [INN-Spanish]
Flutamide
Flutamide (AR inhibitor)
Flutamide (JAN/USP/INN)
Flutamide USP25
Flutamide [USAN:BAN:INN]
Flutamide(pubertal study)
Flutamidum
Flutamidum [INN-Latin]
Flutamin
Flutandrona
Flutaplex
Flutexin
Fugerel
Gry Brand of Flutamide
Ham's F-12 medium
Hexal Brand of Flutamide
InibsaBrand of Flutamide
Ipsen Brand of Flutamide
Juta Brand of Flutamide
Kendrick Brand of Flutamide
Lemery Brand of Flutamide
M-Propionotoluidide, alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-(8CI)
M-propionotoluidide,alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro
METHOXYCHLOR
NFBA
NK-601
Niftholide
Niftolid
Niftolide
Novo Flutamide
Novo-Flutamide
NovoFlutamide
Novopharm Brand of Flutamide
Odyne
Oncosal
PMS Flutamide
PMS-Flutamide
PUBERTAL FLUTAMIDE STUDY (PUBERTAL STUDIES OF VINCLOZOLIN
Pharmascience Brand of Flutamide
Prasfarma Brand of Flutamide
Prostacur
Prostandril
Prostica
Prostogenat
Q Pharm Brand of Flutamide
Q-Pharm Brand of Flutamide
SCH13521
Sch 13521
Sch-13521
Schering Brand of Flutamide
Schering Plough Brand of Flutamide
Schering-Plough Brand of Flutamide
TAD Brand of Flutamide
Tedec Meiji Brand of Flutamide
Testotard
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Structure
Formula
C11H11F3N2O3
Molecular Weight
276.214
Canonical SMILES
CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
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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)
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InChIKey
MKXKFYHWDHIYRV-UHFFFAOYSA-N
CAS
13311-84-7
337962-98-8
37209-54-4
Physicochemical Property
logP
3.2081
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
72.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3397
SID: 15222063
ChEMBL ID
CHEMBL806
DrugBank ID
DB00499
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000284 MDA-MB-453 Homo sapiens (Human)  1
1
IC50 = 2000 nM
   TI
   LI
   LO
   TS
CL000370 SC-3 Mus musculus (Mouse)  2
1
IC50 = 4200 nM
   TI
   LI
   LO
   TS
2
Ki = 1300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 154 nM
2 Ki = 3700 nM
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 707.9 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Flutamide )
Drug Name Flutamide
Company Schering-Plough Corporation
Indication
Prostate cancer
Approved
Target(s)
Androgen receptor (AR)
Antagonist