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Oprea1_439082,ZINC01159928, 2-(4-bromo-2-methylphenoxy)-N-(3-chloro-2-

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摘 要:Oprea1_439082,ZINC01159928, 2-(4-bromo-2-methylphenoxy)-N-(3-chloro-2-methylphenyl)acetamide,Canonical SMILES: CC1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C(=CC=C2)Cl)C,InChI: InChI=1/C16H15BrClNO2/c1-10-8-12(17)6-7-15(10)21-9-16(20)19-14-5-3-4-13,(18)11(14)2/h3-
[Synonyms]
Oprea1_439082
ZINC01159928

[Structure]
Oprea1_439082,ZINC01159928, 2-(4-bromo-2-methylphenoxy)-N-(3-chloro-2-

[ Properties Computed from Structure]
Molecular Weight368.6528 [g/mol]
Molecular FormulaC16H15BrClNO2
XLogP4.5
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count4
Tautomer Count2
Exact Mass366.997469
MonoIsotopic Mass366.997469
Topological Polar Surface Area38.3
Heavy Atom Count21
Formal Charge0
Complexity355
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: 2-(4-bromo-2-methylphenoxy)-N-(3-chloro-2-methylphenyl)acetamide
Canonical SMILES: CC1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C(=CC=C2)Cl)C
InChI: InChI=1/C16H15BrClNO2/c1-10-8-12(17)6-7-15(10)21-9-16(20)19-14-5-3-4-13
(18)11(14)2/h3-8H,9H2,1-2H3,(H,19,20)/f/h19H

 
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