N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-chlorobenzamide

Formula:C20H15N2O3Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-chlorobenzamide is a drug-like molecule.

MolNameN-[(E)-3-anilino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-chlorobenzamide
MolecularFormulaC20H15N2O3Cl
SmilesO=C(/C(/NC(c(cc1)ccc1Cl)=O)=C\c1ccco1)Nc1ccccc1
InChIInChI=1S/C20H15ClN2O3/c21-15-10-8-14(9-11-15)19(24)23-18(13-17-7-4-12-26-17)20(25)22-16-5-2-1-3-6-16/h1-13H,(H,22,25)(H,23,24)
InChIKGRAYJAOVHFECHJ-UHFFFAOYSA-N
TotalMolweight366.803
Molweight366.803
MonoisotopicMass366.07712
CLogP4.2185
CLogS-5.291
H Acceptors5
H Donors2
TotalSurfaceArea281.02
Relative PSA0.22457
PolarSurfaceArea71.34
Druglikeness2.7377
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.53846
Fragments1
Non HAtoms26
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Symmetricatoms4
Amides2
StereoCon

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