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ZINC00147168 N-(3,5-dichlorophenyl)-2-(4-ethoxyphenoxy)acetamide,Canon

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摘 要:ZINC00147168 N-(3,5-dichlorophenyl)-2-(4-ethoxyphenoxy)acetamide,Canonical SMILES: CCOC1=CC=C(C=C1)OCC(=O)NC2=CC(=CC(=C2)Cl)Cl,InChI: InChI=1/C16H15Cl2NO3/c1-2-21-14-3-5-15(6-4-14)22-10-16(20)19-13-8-11(17),7-12(18)9-13/h3-9H,2,10H2,1H3,(H,19,20)/f/h
[Synonyms]
ZINC00147168
[Structure]
ZINC00147168 N-(3,5-dichlorophenyl)-2-(4-ethoxyphenoxy)acetamide,Canon

[ Properties Computed from Structure]
Molecular Weight340.2012 [g/mol]
Molecular FormulaC16H15Cl2NO3
XLogP4.3
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count6
Tautomer Count2
Exact Mass339.042899
MonoIsotopic Mass339.042899
Topological Polar Surface Area47.6
Heavy Atom Count22
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(3,5-dichlorophenyl)-2-(4-ethoxyphenoxy)acetamide
Canonical SMILES: CCOC1=CC=C(C=C1)OCC(=O)NC2=CC(=CC(=C2)Cl)Cl
InChI: InChI=1/C16H15Cl2NO3/c1-2-21-14-3-5-15(6-4-14)22-10-16(20)19-13-8-11(17)
7-12(18)9-13/h3-9H,2,10H2,1H3,(H,19,20)/f/h19H

 
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