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4-[[4-chloro-1-(2-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[(2,,4-

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摘 要: 4-[[4-chloro-1-(2-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[(2,,4-dichlorophenyl)methyl]benzamide,Canonical SMILES: C1=CC=C(C(=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NCC4=C(C=C(C=C4)Cl),Cl)F,InChI: InChI=1/C24H15Cl3FN3O3/c25-15-8-5-14(17(26)11
[Synonyms]

[Structure]
 4-[[4-chloro-1-(2-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[(2,,4-

[ Properties Computed from Structure]
Molecular Weight518.751603 [g/mol]
Molecular FormulaC24H15Cl3FN3O3
XLogP6.1
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count7
Exact Mass517.016303
MonoIsotopic Mass517.016303
Topological Polar Surface Area78.5
Heavy Atom Count34
Formal Charge0
Complexity834
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: 4-[[4-chloro-1-(2-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[(2,
4-dichlorophenyl)methyl]benzamide
Canonical SMILES: C1=CC=C(C(=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NCC4=C(C=C(C=C4)Cl)
Cl)F
InChI: InChI=1/C24H15Cl3FN3O3/c25-15-8-5-14(17(26)11-15)12-29-22(32)13-6-9-16
(10-7-13)30-21-20(27)23(33)31(24(21)34)19-4-2-1-3-18(19)28/h1-11,30H,
12H2,(H,29,32)/f/h29H

 
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