(E)-3-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-2-cyano-N-phenylprop-2-enamide

Formula:C24H17N3O3BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-2-cyano-N-phenylprop-2-enamide is a drug-like molecule.

MolName	(E)-3-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-2-cyano-N-phenylprop-2-enamide
MolecularFormula	C24H17N3O3BrF
Smiles	N#C/C(/C(Nc1ccccc1)=O)=C\c(cc1)cc(Br)c1OCC(Nc(cc1)ccc1F)=O
InChI	InChI=1S/C24H17BrFN3O3/c25-21-13-16(12-17(14-27)24(31)29-19-4-2-1-3-5-19)6-11-22(21)32-15-23(30)28-20-9-7-18(26)8-10-20/h1-13H,15H2,(H,28,30)(H,29,31)
InChIK	CQLAOGZGIUEXMG-UHFFFAOYSA-N
TotalMolweight	494.319
Molweight	494.319
MonoisotopicMass	493.043731
CLogP	4.5367
CLogS	-6.21
H Acceptors	6
H Donors	2
TotalSurfaceArea	346.36
Relative PSA	0.20949
PolarSurfaceArea	91.22
Druglikeness	-4.9054
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.65625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	2
StereoCon

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