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116476-55-2 | Propanediamide, N1,N3-bis(2,5-dichlorophenyl)-2-phenyl-
CAS No: 116476-55-2 Catalog No: AG000CLM MDL No:
Product Description
Catalog Number:
AG000CLM
Chemical Name:
Propanediamide, N1,N3-bis(2,5-dichlorophenyl)-2-phenyl-
CAS Number:
116476-55-2
Molecular Formula:
C21H14Cl4N2O2
Molecular Weight:
468.1601
IUPAC Name:
N,N'-bis(2,5-dichlorophenyl)-2-phenylpropanediamide
InChI:
InChI=1S/C21H14Cl4N2O2/c22-13-6-8-15(24)17(10-13)26-20(28)19(12-4-2-1-3-5-12)21(29)27-18-11-14(23)7-9-16(18)25/h1-11,19H,(H,26,28)(H,27,29)
InChI Key:
ODNCMLCKMYRBOH-UHFFFAOYSA-N
SMILES:
O=C(C(C(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1)Nc1cc(Cl)ccc1Cl
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.978g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
468.155g/mol
Monoisotopic Mass:
465.981g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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