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265977-72-8 | Benzamide, N-[(1Z)-2-chloro-2-phenyl-1-(1-piperidinylcarbonyl)ethenyl]-
CAS No: 265977-72-8 Catalog No: AG002TSP MDL No:MFCD00546956
Product Description
Catalog Number:
AG002TSP
Chemical Name:
Benzamide, N-[(1Z)-2-chloro-2-phenyl-1-(1-piperidinylcarbonyl)ethenyl]-
CAS Number:
265977-72-8
Molecular Formula:
C21H21ClN2O2
Molecular Weight:
368.8566
MDL Number:
MFCD00546956
IUPAC Name:
N-[(Z)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide
InChI:
InChI=1S/C21H21ClN2O2/c22-18(16-10-4-1-5-11-16)19(21(26)24-14-8-3-9-15-24)23-20(25)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,23,25)/b19-18-
InChI Key:
FGCZYICKZZNEEU-HNENSFHCSA-N
SMILES:
O=C(c1ccccc1)N/C(=C(/c1ccccc1)\Cl)/C(=O)N1CCCCC1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
368.129g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.861g/mol
Monoisotopic Mass:
368.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Phenylpropenamide derivatives: anti-hepatitis B virus activity of the Z isomer, SAR and the search for novel analogs. | Bioorganic & medicinal chemistry letters 20110801 |
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