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Home > Bromides > 1800044-78-3
1800044-78-3 | Benzamide, N-[(1Z)-2-(3-bromophenyl)-2-chloro-1-(1-piperidinylcarbonyl)ethenyl]-
CAS No: 1800044-78-3 Catalog No: AG0021LN MDL No:
Product Description
Catalog Number:
AG0021LN
Chemical Name:
Benzamide, N-[(1Z)-2-(3-bromophenyl)-2-chloro-1-(1-piperidinylcarbonyl)ethenyl]-
CAS Number:
1800044-78-3
Molecular Formula:
C21H20BrClN2O2
Molecular Weight:
447.7527
IUPAC Name:
N-[(Z)-1-(3-bromophenyl)-1-chloro-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
InChI:
InChI=1S/C21H20BrClN2O2/c22-17-11-7-10-16(14-17)18(23)19(21(27)25-12-5-2-6-13-25)24-20(26)15-8-3-1-4-9-15/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,24,26)/b19-18-
InChI Key:
PVKDZOSYUNLWCQ-HNENSFHCSA-N
SMILES:
Brc1cccc(c1)/C(=C(\C(=O)N1CCCCC1)/NC(=O)c1ccccc1)/Cl
Properties
Complexity:
569
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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