N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide

Formula:C23H18N3O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide is a drug-like molecule.

MolNameN-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide
MolecularFormulaC23H18N3O3F
SmilesO=C(/C=C/c(cc1)ccc1F)NNC(c(cc1)ccc1NC(c1ccccc1)=O)=O
InChIInChI=1S/C23H18FN3O3/c24-19-11-6-16(7-12-19)8-15-21(28)26-27-23(30)18-9-13-20(14-10-18)25-22(29)17-4-2-1-3-5-17/h1-15H,(H,25,29)(H,26,28)(H,27,30)
InChIKFVLCEQURBAVHJC-UHFFFAOYSA-N
TotalMolweight403.412
Molweight403.412
MonoisotopicMass403.13322
CLogP3.1951
CLogS-5.506
H Acceptors6
H Donors3
TotalSurfaceArea313.26
Relative PSA0.23463
PolarSurfaceArea87.3
Druglikeness-0.14378
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.7
Fragments1
Non HAtoms30
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Symmetricatoms6
Amides1
StereoCon

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