C23H20N3O4I | Cheminformatics

N-[4-[[(3-iodo-4-methoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide

Formula:C23H20N3O4I Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[4-[[(3-iodo-4-methoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide is not a drug-like molecule.

MolNameN-[4-[[(3-iodo-4-methoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
MolecularFormulaC23H20N3O4I
SmilesCc(cccc1)c1C(Nc(cc1)ccc1C(NNC(c(cc1)cc(I)c1OC)=O)=O)=O
InChIInChI=1S/C23H20IN3O4/c1-14-5-3-4-6-18(14)23(30)25-17-10-7-15(8-11-17)21(28)26-27-22(29)16-9-12-20(31-2)19(24)13-16/h3-13H,1-2H3,(H,25,30)(H,26,28)(H,27,29)
InChIKFVMMGOCFUZBEAL-UHFFFAOYSA-N
TotalMolweight529.329
Molweight529.329
MonoisotopicMass529.049855
CLogP3.4761
CLogS-6.2
H Acceptors7
H Donors3
TotalSurfaceArea341.21
Relative PSA0.24472
PolarSurfaceArea96.53
Druglikeness2.77
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.64516
Fragments1
Non HAtoms31
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms2
Amides1
StereoCon

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