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921631-44-9 | Acetamide, N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]-
CAS No: 921631-44-9 Catalog No: AG006GQG MDL No:
Product Description
Catalog Number:
AG006GQG
Chemical Name:
Acetamide, N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]-
CAS Number:
921631-44-9
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]acetamide
InChI:
InChI=1S/C14H13N3O/c1-10(18)16-12-5-3-11(4-6-12)14-8-7-13(9-15)17(14)2/h3-8H,1-2H3,(H,16,18)
InChI Key:
WINRLKMXNQDAOS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(n1C)c1ccc(cc1)NC(=O)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Novel progesterone receptor modulators: 4-aryl-phenylsulfonamides. | Bioorganic & medicinal chemistry letters 20121201 |
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