N-[(E)-3-(4-chloroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C22H16N2O2ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(4-chloroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-3-(4-chloroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C22H16N2O2ClF
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1F)Nc(cc1)ccc1Cl
InChI	InChI=1S/C22H16ClFN2O2/c23-17-8-12-19(13-9-17)25-22(28)20(14-15-6-10-18(24)11-7-15)26-21(27)16-4-2-1-3-5-16/h1-14H,(H,25,28)(H,26,27)
InChIK	HQKMRBDFHVCMDC-UHFFFAOYSA-N
TotalMolweight	394.832
Molweight	394.832
MonoisotopicMass	394.088433
CLogP	5.1306
CLogS	-5.923
H Acceptors	4
H Donors	2
TotalSurfaceArea	297.68
Relative PSA	0.16461
PolarSurfaceArea	58.2
Druglikeness	1.7005
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Symmetricatoms	6
Amides	2
StereoCon

Click to Load Molecule:

1 - N-[(E)-3-(4-chloroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-(4-chloroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide

Request More Details | N-[(E)-3-(4-chloroanilino)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments