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Home > Bromides > 1800044-61-4
1800044-61-4 | Benzamide, N-[(1Z)-2-bromo-2-(4-chlorophenyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS No: 1800044-61-4 Catalog No: AG0021KW MDL No:
Product Description
Catalog Number:
AG0021KW
Chemical Name:
Benzamide, N-[(1Z)-2-bromo-2-(4-chlorophenyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS Number:
1800044-61-4
Molecular Formula:
C21H20BrClN2O2
Molecular Weight:
447.7527
IUPAC Name:
N-[(Z)-1-bromo-1-(4-chlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
InChI:
InChI=1S/C21H20BrClN2O2/c22-18(15-9-11-17(23)12-10-15)19(21(27)25-13-5-2-6-14-25)24-20(26)16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14H2,(H,24,26)/b19-18-
InChI Key:
CJUAUFBZRVIDRJ-HNENSFHCSA-N
SMILES:
Clc1ccc(cc1)/C(=C(\C(=O)N1CCCCC1)/NC(=O)c1ccccc1)/Br
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
446.04g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
447.757g/mol
Monoisotopic Mass:
446.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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