Name: Name:Propanamide, 3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-, (2R)-
Brand: Angene
SKU: AG002AKR
Rating: 90 (10 reviews)

Propanamide, 3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-, (2R)-

CAS No.:

206193-18-2

Catalog Number:

AG002AKR

Molecular Formula:

C11H10BrF3N2O4

Molecular Weight:

371.1073

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Product Description

Catalog Number:

AG002AKR

Chemical Name:

Propanamide, 3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-, (2R)-

CAS Number:

206193-18-2

Molecular Formula:

C11H10BrF3N2O4

Molecular Weight:

371.1073

MDL Number:

MFCD12405758

IUPAC Name:

(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

InChI:

InChI=1S/C11H10BrF3N2O4/c1-10(19,5-12)9(18)16-6-2-3-8(17(20)21)7(4-6)11(13,14)15/h2-4,19H,5H2,1H3,(H,16,18)/t10-/m0/s1

InChI Key:

QDSWNDMHSBZXKX-JTQLQIEISA-N

SMILES:

BrC[C@@](C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(O)C

Properties

Complexity:

415

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

369.978g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

371.11g/mol

Monoisotopic Mass:

369.978g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Nonsteroidal selective androgen receptor modulators (SARMs): dissociating the anabolic and androgenic activities of the androgen receptor for therapeutic benefit.	Journal of medicinal chemistry 20090625
Three-dimensional structure-activity relationships of nonsteroidal ligands in complex with androgen receptor ligand-binding domain.	Journal of medicinal chemistry 20050224
A ligand-based approach to identify quantitative structure-activity relationships for the androgen receptor.	Journal of medicinal chemistry 20040715
Homology modeling using multiple molecular dynamics simulations and docking studies of the human androgen receptor ligand binding domain bound to testosterone and nonsteroidal ligands.	Journal of medicinal chemistry 20010524