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Home > Fluorides > 823191-52-2
823191-52-2 | Benzamide, 4-fluoro-N-[1-(1-methyl-4-piperidinyl)-1H-indol-6-yl]-
CAS No: 823191-52-2 Catalog No: AG004ZC6 MDL No:
Product Description
Catalog Number:
AG004ZC6
Chemical Name:
Benzamide, 4-fluoro-N-[1-(1-methyl-4-piperidinyl)-1H-indol-6-yl]-
CAS Number:
823191-52-2
Molecular Formula:
C21H22FN3O
Molecular Weight:
351.4173
IUPAC Name:
4-fluoro-N-[1-(1-methylpiperidin-4-yl)indol-6-yl]benzamide
InChI:
InChI=1S/C21H22FN3O/c1-24-11-9-19(10-12-24)25-13-8-15-4-7-18(14-20(15)25)23-21(26)16-2-5-17(22)6-3-16/h2-8,13-14,19H,9-12H2,1H3,(H,23,26)
InChI Key:
DKDSMUOEMDNPTM-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)n1ccc2c1cc(cc2)NC(=O)c1ccc(cc1)F
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.175g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.425g/mol
Monoisotopic Mass:
351.175g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Design, synthesis and evaluation of bicyclic benzamides as novel 5-HT1F receptor agonists. | Bioorganic & medicinal chemistry letters 20041220 |
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