Home Halogens Benzamide, N-[(1Z)-2-chloro-2-(2-methylphenyl)-1-(1-piperidinylcarbonyl)ethenyl]-

Benzamide, N-[(1Z)-2-chloro-2-(2-methylphenyl)-1-(1-piperidinylcarbonyl)ethenyl]-

CAS No.:
1323140-59-5
Catalog Number:
AG0010J3
Molecular Formula:
C22H23ClN2O2
Molecular Weight:
382.8832
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Product Description
Catalog Number:
AG0010J3
Chemical Name:
Benzamide, N-[(1Z)-2-chloro-2-(2-methylphenyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS Number:
1323140-59-5
Molecular Formula:
C22H23ClN2O2
Molecular Weight:
382.8832
MDL Number:
MFCD29037401
IUPAC Name:
N-[(Z)-1-chloro-1-(2-methylphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
InChI:
InChI=1S/C22H23ClN2O2/c1-16-10-6-7-13-18(16)19(23)20(22(27)25-14-8-3-9-15-25)24-21(26)17-11-4-2-5-12-17/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,24,26)/b20-19-
InChI Key:
SIQXMIUJAVECCG-VXPUYCOJSA-N
SMILES:
O=C(c1ccccc1)N/C(=C(/c1ccccc1C)\Cl)/C(=O)N1CCCCC1
Properties
Complexity:
563  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
382.145g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
382.888g/mol
Monoisotopic Mass:
382.145g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
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
Properties