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921631-41-6

921631-41-6 | Propanamide, N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]-2-methyl-

CAS No: 921631-41-6 Catalog No: AG006GQH MDL No:

Product Description

Catalog Number:
AG006GQH
Chemical Name:
Propanamide, N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]-2-methyl-
CAS Number:
921631-41-6
Molecular Formula:
C16H17N3O
Molecular Weight:
267.3257
IUPAC Name:
N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-2-methylpropanamide
InChI:
InChI=1S/C16H17N3O/c1-11(2)16(20)18-13-6-4-12(5-7-13)15-9-8-14(10-17)19(15)3/h4-9,11H,1-3H3,(H,18,20)
InChI Key:
GKDVKPGBVTYGCC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(n1C)c1ccc(cc1)NC(=O)C(C)C

Properties

Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.137g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.332g/mol
Monoisotopic Mass:
267.137g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Literature

Title Journal
Novel progesterone receptor modulators: 4-aryl-phenylsulfonamides. Bioorganic & medicinal chemistry letters 20121201

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