2-[2-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide

Formula:C25H20N3O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide is a drug-like molecule.

MolName2-[2-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide
MolecularFormulaC25H20N3O4F
SmilesO=C(COc1c(/C=C(\C(N2Cc(cccc3)c3F)=O)/NC2=O)cccc1)Nc1ccccc1
InChIInChI=1S/C25H20FN3O4/c26-20-12-6-4-9-18(20)15-29-24(31)21(28-25(29)32)14-17-8-5-7-13-22(17)33-16-23(30)27-19-10-2-1-3-11-19/h1-14H,15-16H2,(H,27,30)(H,28,32)
InChIKAPDSIBOAHPMLJU-UHFFFAOYSA-N
TotalMolweight445.449
Molweight445.449
MonoisotopicMass445.143785
CLogP3.3625
CLogS-5.303
H Acceptors7
H Donors2
TotalSurfaceArea334.33
Relative PSA0.22609
PolarSurfaceArea87.74
Druglikeness3.6857
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.57576
Fragments1
Non HAtoms33
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms2
Amides3
StereoCon

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