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MLS000334555,SMR000249313,T5299099, 2-[[2-[4-(4-fluorobenzoyl)phenoxy]

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摘 要:MLS000334555,SMR000249313,T5299099, 2-[[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]-methylamino]-N-(4-,methylphenyl)acetamide,Canonical SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F,InChI: InChI=1/C25H23FN2O4/c1-17-3-11-21(12-4-1
[Synonyms]
MLS000334555
SMR000249313
T5299099

[Structure]
MLS000334555,SMR000249313,T5299099, 2-[[2-[4-(4-fluorobenzoyl)phenoxy]

[ Properties Computed from Structure]
Molecular Weight434.459523 [g/mol]
Molecular FormulaC25H23FN2O4
XLogP4.1
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count8
Tautomer Count2
Exact Mass434.164185
MonoIsotopic Mass434.164185
Topological Polar Surface Area75.7
Heavy Atom Count32
Formal Charge0
Complexity634
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-[[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]-methylamino]-N-(4-
methylphenyl)acetamide
Canonical SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F
InChI: InChI=1/C25H23FN2O4/c1-17-3-11-21(12-4-17)27-23(29)15-28(2)24(30)16-32-
22-13-7-19(8-14-22)25(31)18-5-9-20(26)10-6-18/h3-14H,15-16H2,1-2H3,(H,
27,29)/f/h27H

 
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