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Home > Bromides > 1800044-62-5
1800044-62-5 | Benzamide, N-[(1Z)-2-bromo-2-(2-methylphenyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS No: 1800044-62-5 Catalog No: AG0021KV MDL No:
Product Description
Catalog Number:
AG0021KV
Chemical Name:
Benzamide, N-[(1Z)-2-bromo-2-(2-methylphenyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS Number:
1800044-62-5
Molecular Formula:
C22H23BrN2O2
Molecular Weight:
427.3342
IUPAC Name:
N-[(Z)-1-bromo-1-(2-methylphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
InChI:
InChI=1S/C22H23BrN2O2/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:
XEKFJRJIBATNSW-VXPUYCOJSA-N
SMILES:
O=C(c1ccccc1)N/C(=C(/c1ccccc1C)\Br)/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:
426.094g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.342g/mol
Monoisotopic Mass:
426.094g/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
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