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86993-56-8 | Benzamide, 2-(acetylamino)-3,5-dibromo-N-(phenylmethyl)-
CAS No: 86993-56-8 Catalog No: AG004KSK MDL No:
Product Description
Catalog Number:
AG004KSK
Chemical Name:
Benzamide, 2-(acetylamino)-3,5-dibromo-N-(phenylmethyl)-
CAS Number:
86993-56-8
Molecular Formula:
C16H14Br2N2O2
Molecular Weight:
426.1026
IUPAC Name:
2-acetamido-N-benzyl-3,5-dibromobenzamide
InChI:
InChI=1S/C16H14Br2N2O2/c1-10(21)20-15-13(7-12(17)8-14(15)18)16(22)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChI Key:
VTMSEKOQVAIEOI-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1c(Br)cc(cc1C(=O)NCc1ccccc1)Br
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.94g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
426.108g/mol
Monoisotopic Mass:
423.942g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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