N-[(E)-1-(2,4-dichlorophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide

Formula:C24H20N2O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(2,4-dichlorophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide is not a drug-like molecule.

MolNameN-[(E)-1-(2,4-dichlorophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
MolecularFormulaC24H20N2O2Cl2
SmilesO=C(/C(/NC(c1ccccc1)=O)=C\c(ccc(Cl)c1)c1Cl)NCCc1ccccc1
InChIInChI=1S/C24H20Cl2N2O2/c25-20-12-11-19(21(26)16-20)15-22(28-23(29)18-9-5-2-6-10-18)24(30)27-14-13-17-7-3-1-4-8-17/h1-12,15-16H,13-14H2,(H,27,30)(H,28,29)
InChIKPKMMAATXOOEUIU-UHFFFAOYSA-N
TotalMolweight439.341
Molweight439.341
MonoisotopicMass438.090182
CLogP5.7753
CLogS-6.273
H Acceptors4
H Donors2
TotalSurfaceArea334.27
Relative PSA0.14659
PolarSurfaceArea58.2
Druglikeness3.5541
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms30
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms4
Amides2
StereoCon

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