2-chloro-N-[(2E,4E)-1-(2-hydroxyethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

Formula:C20H19N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-N-[(2E,4E)-1-(2-hydroxyethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is a drug-like molecule.

MolName	2-chloro-N-[(2E,4E)-1-(2-hydroxyethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
MolecularFormula	C20H19N2O3Cl
Smiles	OCCNC(/C(/NC(c(cccc1)c1Cl)=O)=C\C=C\c1ccccc1)=O
InChI	InChI=1S/C20H19ClN2O3/c21-17-11-5-4-10-16(17)19(25)23-18(20(26)22-13-14-24)12-6-9-15-7-2-1-3-8-15/h1-12,24H,13-14H2,(H,22,26)(H,23,25)
InChIK	JPAVZLFRPPJCBC-UHFFFAOYSA-N
TotalMolweight	370.835
Molweight	370.835
MonoisotopicMass	370.10842
CLogP	3.4573
CLogS	-4.207
H Acceptors	5
H Donors	3
TotalSurfaceArea	291.94
Relative PSA	0.21271
PolarSurfaceArea	78.43
Druglikeness	3.705
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

Click to Load Molecule:

1 - 2-chloro-N-[(2E,4E)-1-(2-hydroxyethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide | 2 - 2-chloro-N-[(2E,4E)-1-(2-hydroxyethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

Request More Details | 2-chloro-N-[(2E,4E)-1-(2-hydroxyethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments