N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-2-chlorobenzamide

Formula:C23H19N2O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-2-chlorobenzamide is a drug-like molecule.

MolNameN-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-2-chlorobenzamide
MolecularFormulaC23H19N2O2Cl
SmilesO=C(/C(/NC(c(cccc1)c1Cl)=O)=C\c1ccccc1)NCc1ccccc1
InChIInChI=1S/C23H19ClN2O2/c24-20-14-8-7-13-19(20)22(27)26-21(15-17-9-3-1-4-10-17)23(28)25-16-18-11-5-2-6-12-18/h1-15H,16H2,(H,25,28)(H,26,27)
InChIKHEZXSWKLHCGIHN-UHFFFAOYSA-N
TotalMolweight390.869
Molweight390.869
MonoisotopicMass390.113505
CLogP4.7392
CLogS-5.425
H Acceptors4
H Donors2
TotalSurfaceArea305.09
Relative PSA0.16061
PolarSurfaceArea58.2
Druglikeness3.4624
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms28
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms1
Symmetricatoms4
Amides2
StereoCon

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