5-chloro-N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide

Formula:C24H16N3O4Cl2F Mutagenic:none Tumorigenic:none Reproductive Effective:high 5-chloro-N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.

MolName5-chloro-N-[(Z)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
MolecularFormulaC24H16N3O4Cl2F
SmilesO=C(COc(ccc(/C=N\NC(c1cc(cc(cc2)Cl)c2o1)=O)c1)c1Cl)Nc(cccc1)c1F
InChIInChI=1S/C24H16Cl2FN3O4/c25-16-6-8-20-15(10-16)11-22(34-20)24(32)30-28-12-14-5-7-21(17(26)9-14)33-13-23(31)29-19-4-2-1-3-18(19)27/h1-12H,13H2,(H,29,31)(H,30,32)
InChIKGIJXYOOVYPHUNP-UHFFFAOYSA-N
TotalMolweight500.312
Molweight500.312
MonoisotopicMass499.050189
CLogP5.7424
CLogS-7.982
H Acceptors7
H Donors2
TotalSurfaceArea361.2
Relative PSA0.23427
PolarSurfaceArea92.93
Druglikeness3.8289
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.64706
Fragments1
Non HAtoms34
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms2
Amides1
StereoCon

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