C22H20NO3Br | Cheminformatics

2-(2-bromo-4-phenylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide

Formula:C22H20NO3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-bromo-4-phenylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide is not a drug-like molecule.

MolName2-(2-bromo-4-phenylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
MolecularFormulaC22H20NO3Br
SmilesCc(cc1)cc(NC(COc(ccc(-c2ccccc2)c2)c2Br)=O)c1OC
InChIInChI=1S/C22H20BrNO3/c1-15-8-10-21(26-2)19(12-15)24-22(25)14-27-20-11-9-17(13-18(20)23)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,24,25)
InChIKMUVLGQRWXYYIRK-UHFFFAOYSA-N
TotalMolweight426.309
Molweight426.309
MonoisotopicMass425.062655
CLogP5.0403
CLogS-6.19
H Acceptors4
H Donors1
TotalSurfaceArea298.9
Relative PSA0.14888
PolarSurfaceArea47.56
Druglikeness-1.0441
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.59259
Fragments1
Non HAtoms27
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms2
Amides1
StereoCon

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