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1800044-75-0 | Benzamide, N-[(1Z)-2-chloro-2-(2-cyanophenyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS No: 1800044-75-0 Catalog No: AG0021LQ MDL No:MFCD29037400
Product Description
Catalog Number:
AG0021LQ
Chemical Name:
Benzamide, N-[(1Z)-2-chloro-2-(2-cyanophenyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS Number:
1800044-75-0
Molecular Formula:
C22H20ClN3O2
Molecular Weight:
393.8661
MDL Number:
MFCD29037400
IUPAC Name:
N-[(Z)-1-chloro-1-(2-cyanophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
InChI:
InChI=1S/C22H20ClN3O2/c23-19(18-12-6-5-11-17(18)15-24)20(22(28)26-13-7-2-8-14-26)25-21(27)16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-14H2,(H,25,27)/b20-19-
InChI Key:
NGVZUTVHMQIWGL-VXPUYCOJSA-N
SMILES:
N#Cc1ccccc1/C(=C(\C(=O)N1CCCCC1)/NC(=O)c1ccccc1)/Cl
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
393.124g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.871g/mol
Monoisotopic Mass:
393.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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