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

Formula:C25H19N3O4ClF Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)benzamide is a drug-like molecule.

MolName	3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)benzamide
MolecularFormula	C25H19N3O4ClF
Smiles	Cc(cc1)cc(N(C(C(Nc2cc(C(Nc(cccc3)c3F)=O)ccc2)=C2Cl)=O)C2=O)c1OC
InChI	InChI=1S/C25H19ClFN3O4/c1-14-10-11-20(34-2)19(12-14)30-24(32)21(26)22(25(30)33)28-16-7-5-6-15(13-16)23(31)29-18-9-4-3-8-17(18)27/h3-13,28H,1-2H3,(H,29,31)
InChIK	DBAJGOMBLUNBER-UHFFFAOYSA-N
TotalMolweight	479.894
Molweight	479.894
MonoisotopicMass	479.104812
CLogP	3.8469
CLogS	-6.383
H Acceptors	7
H Donors	2
TotalSurfaceArea	344.96
Relative PSA	0.21913
PolarSurfaceArea	87.74
Druglikeness	0.85192
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Amides	2
StereoCon

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