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67687-29-0 | Benzamide, 3,6-diiodo-N-(4-methylphenyl)-2-(phenylacetyl)-
CAS No: 67687-29-0 Catalog No: AG00643W MDL No:
Product Description
Catalog Number:
AG00643W
Chemical Name:
Benzamide, 3,6-diiodo-N-(4-methylphenyl)-2-(phenylacetyl)-
CAS Number:
67687-29-0
Molecular Formula:
C22H17I2NO2
Molecular Weight:
581.1848
IUPAC Name:
3,6-diiodo-N-(4-methylphenyl)-2-(2-phenylacetyl)benzamide
InChI:
InChI=1S/C22H17I2NO2/c1-14-7-9-16(10-8-14)25-22(27)21-18(24)12-11-17(23)20(21)19(26)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,27)
InChI Key:
WLRDHNNLELSFEW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=O)c1c(I)ccc(c1C(=O)Cc1ccccc1)I
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
580.935g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
581.192g/mol
Monoisotopic Mass:
580.935g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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