(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide

Formula:C20H21N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide is a drug-like molecule.

MolName	(2S)-2-N-(3-acetamidophenyl)-1-N-(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
MolecularFormula	C20H21N4O3Cl
Smiles	CC(Nc1cccc(NC([C@H](CCC2)N2C(Nc2cccc(Cl)c2)=O)=O)c1)=O
InChI	InChI=1S/C20H21ClN4O3/c1-13(26)22-16-7-3-8-17(12-16)23-19(27)18-9-4-10-25(18)20(28)24-15-6-2-5-14(21)11-15/h2-3,5-8,11-12,18H,4,9-10H2,1H3,(H,22,26)(H,23,27)(H,24,28)/t18-/m0/s1
InChIK	MZOHTCLZINWKMD-SFHVURJKSA-N
TotalMolweight	400.865
Molweight	400.865
MonoisotopicMass	400.130218
CLogP	3.1703
CLogS	-4.891
H Acceptors	7
H Donors	3
TotalSurfaceArea	298.91
Relative PSA	0.25777
PolarSurfaceArea	90.54
Druglikeness	7.2374
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Amides	4
StereoCon	this enantiomer

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