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827314-35-2 | 2-Butenediamide, N-phenyl-N'-(phenylmethyl)-
CAS No: 827314-35-2 Catalog No: AG004V59 MDL No:
Product Description
Catalog Number:
AG004V59
Chemical Name:
2-Butenediamide, N-phenyl-N'-(phenylmethyl)-
CAS Number:
827314-35-2
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
IUPAC Name:
N-benzyl-N'-phenylbut-2-enediamide
InChI:
InChI=1S/C17H16N2O2/c20-16(18-13-14-7-3-1-4-8-14)11-12-17(21)19-15-9-5-2-6-10-15/h1-12H,13H2,(H,18,20)(H,19,21)
InChI Key:
HMVHNMQPHSNKRV-UHFFFAOYSA-N
SMILES:
O=C(C=CC(=O)Nc1ccccc1)NCc1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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