3-[[4-chloro-1-(4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide

Formula:C24H13N3O3Cl2F4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[[4-chloro-1-(4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide is not a drug-like molecule.

MolName	3-[[4-chloro-1-(4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
MolecularFormula	C24H13N3O3Cl2F4
Smiles	O=C(c1cc(NC(C(N(C2=O)c(cc3)ccc3F)=O)=C2Cl)ccc1)Nc(cc(C(F)(F)F)cc1)c1Cl
InChI	InChI=1S/C24H13Cl2F4N3O3/c25-17-9-4-13(24(28,29)30)11-18(17)32-21(34)12-2-1-3-15(10-12)31-20-19(26)22(35)33(23(20)36)16-7-5-14(27)6-8-16/h1-11,31H,(H,32,34)
InChIK	JNFDLSAUPSXKKD-UHFFFAOYSA-N
TotalMolweight	538.283
Molweight	538.283
MonoisotopicMass	537.027008
CLogP	5.0273
CLogS	-7.535
H Acceptors	6
H Donors	2
TotalSurfaceArea	355.32
Relative PSA	0.18459
PolarSurfaceArea	78.51
Druglikeness	-4.9711
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
Amides	2
StereoCon

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