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88542-59-0 | 1,4-Benzenedicarboxamide, N-[4-(acetylamino)phenyl]-N'-methyl-
CAS No: 88542-59-0 Catalog No: AG004CR2 MDL No:
Product Description
Catalog Number:
AG004CR2
Chemical Name:
1,4-Benzenedicarboxamide, N-[4-(acetylamino)phenyl]-N'-methyl-
CAS Number:
88542-59-0
Molecular Formula:
C17H17N3O3
Molecular Weight:
311.3352
IUPAC Name:
4-N-(4-acetamidophenyl)-1-N-methylbenzene-1,4-dicarboxamide
InChI:
InChI=1S/C17H17N3O3/c1-11(21)19-14-7-9-15(10-8-14)20-17(23)13-5-3-12(4-6-13)16(22)18-2/h3-10H,1-2H3,(H,18,22)(H,19,21)(H,20,23)
InChI Key:
ZBLLATJUOTYTLO-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)NC(=O)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
311.341g/mol
Monoisotopic Mass:
311.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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