N-[(E)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide

Formula:C23H18N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide is a drug-like molecule.

MolName	N-[(E)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
MolecularFormula	C23H18N3O4Cl
Smiles	[O-][N+](c1cccc(/C=C(\C(NCc2ccccc2)=O)/NC(c(cccc2)c2Cl)=O)c1)=O
InChI	InChI=1S/C23H18ClN3O4/c24-20-12-5-4-11-19(20)22(28)26-21(14-17-9-6-10-18(13-17)27(30)31)23(29)25-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,25,29)(H,26,28)
InChIK	NLOZGKRTDJSPPV-UHFFFAOYSA-N
TotalMolweight	435.866
Molweight	435.866
MonoisotopicMass	435.098584
CLogP	3.8176
CLogS	-5.885
H Acceptors	7
H Donors	2
TotalSurfaceArea	328.76
Relative PSA	0.24157
PolarSurfaceArea	104.02
Druglikeness	-1.6164
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide | 2 - N-[(E)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide

Request More Details | N-[(E)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments