3-[[4-chloro-2,5-dioxo-1-(4-phenoxyphenyl)pyrrol-3-yl]amino]-N-(3-chloro-4-fluorophenyl)benzamide

Formula:C29H18N3O4Cl2F Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[[4-chloro-2,5-dioxo-1-(4-phenoxyphenyl)pyrrol-3-yl]amino]-N-(3-chloro-4-fluorophenyl)benzamide is not a drug-like molecule.

MolName	3-[[4-chloro-2,5-dioxo-1-(4-phenoxyphenyl)pyrrol-3-yl]amino]-N-(3-chloro-4-fluorophenyl)benzamide
MolecularFormula	C29H18N3O4Cl2F
Smiles	O=C(c1cc(NC(C(N(C2=O)c(cc3)ccc3Oc3ccccc3)=O)=C2Cl)ccc1)Nc(cc1)cc(Cl)c1F
InChI	InChI=1S/C29H18Cl2FN3O4/c30-23-16-19(9-14-24(23)32)34-27(36)17-5-4-6-18(15-17)33-26-25(31)28(37)35(29(26)38)20-10-12-22(13-11-20)39-21-7-2-1-3-8-21/h1-16,33H,(H,34,36)
InChIK	NKVCUBMXUCWAEG-UHFFFAOYSA-N
TotalMolweight	562.383
Molweight	562.383
MonoisotopicMass	561.065839
CLogP	5.5746
CLogS	-9.054
H Acceptors	7
H Donors	2
TotalSurfaceArea	395.62
Relative PSA	0.19107
PolarSurfaceArea	87.74
Druglikeness	0.83241
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.58974
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	4
Amides	2
StereoCon

Click to Load Molecule:

1 - 3-[[4-chloro-2,5-dioxo-1-(4-phenoxyphenyl)pyrrol-3-yl]amino]-N-(3-chloro-4-fluorophenyl)benzamide | 2 - 3-[[4-chloro-2,5-dioxo-1-(4-phenoxyphenyl)pyrrol-3-yl]amino]-N-(3-chloro-4-fluorophenyl)benzamide

Request More Details | 3-[[4-chloro-2,5-dioxo-1-(4-phenoxyphenyl)pyrrol-3-yl]amino]-N-(3-chloro-4-fluorophenyl)benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments