2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide

C138H135Cl6F3IN9O20 — CID 158114674

About 2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide

2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide (PubChem CID 158114674) has the molecular formula C138H135Cl6F3IN9O20 and a molecular weight of 2636.26 g/mol. Its IUPAC name is 2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide.

Molecular Properties

• Compound Name: 2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide
• PubChem CID: 158114674
• Molecular Formula: C138H135Cl6F3IN9O20
• Molecular Weight: 2636.26 g/mol
• Exact Mass: 2631.70
• IUPAC Name: 2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide
• SMILES: CCOc1cccc(OCC[N+](C)(C)C)c1C(=O)Nc1ccc(Cl)c(C)c1.CCOc1cccc(OCc2ccccc2)c1C(=O)N(C)c1ccc(Cl)c(C)c1.CCOc1cccc(OCc2ccccc2)c1C(=O)Nc1ccc(Cl)c(C)c1.CCOc1cccc2c1C(=O)N(Cc1ccc(Cl)c(C)c1)C2=O.Cc1cc(CN2C(=O)c3cccc(O)c3C2=O)ccc1Cl.Cc1cc(CN2C(=O)c3cccc(OCCN(C)C)c3C2=O)ccc1Cl.Cc1ccc(N2Cc3cccc(O)c3C2=O)cc1C(F)(F)F.[I-]
• InChI: InChI=1S/C24H24ClNO3.C23H22ClNO3.C21H27ClN2O3.C20H21ClN2O3.C18H16ClNO3.C16H12ClNO3.C16H12F3NO2.HI/c1-4-28-21-11-8-12-22(29-16-18-9-6-5-7-10-18)23(21)24(27)26(3)19-13-14-20(25)17(2)15-19;1-3-27-20-10-7-11-21(28-15-17-8-5-4-6-9-17)22(20)23(26)25-18-12-13-19(24)16(2)14-18;1-6-26-18-8-7-9-19(27-13-12-24(3,4)5)20(18)21(25)23-16-10-11-17(22)15(2)14-16;1-13-11-14(7-8-16(13)21)12-23-19(24)15-5-4-6-17(18(15)20(23)25)26-10-9-22(2)3;1-3-23-15-6-4-5-13-16(15)18(22)20(17(13)21)10-12-7-8-14(19)11(2)9-12;1-9-7-10(5-6-12(9)17)8-18-15(20)11-3-2-4-13(19)14(11)16(18)21;1-9-5-6-11(7-12(9)16(17,18)19)20-8-10-3-2-4-13(21)14(10)15(20)22;/h5-15H,4,16H2,1-3H3;4-14H,3,15H2,1-2H3,(H,25,26);7-11,14H,6,12-13H2,1-5H3;4-8,11H,9-10,12H2,1-3H3;4-9H,3,10H2,1-2H3;2-7,19H,8H2,1H3;2-7,21H,8H2,1H3;1H
• InChIKey: WWXIGEPRQHHPNH-UHFFFAOYSA-N
• XLogP: 27.43
• TPSA: 328.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 35
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2636.26
LogP ≤ 5	27.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide?

The IUPAC name of 2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide (CID 158114674) is 2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide.

What is the SMILES notation for 2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide?

The canonical SMILES for 2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide is CCOc1cccc(OCC[N+](C)(C)C)c1C(=O)Nc1ccc(Cl)c(C)c1.CCOc1cccc(OCc2ccccc2)c1C(=O)N(C)c1ccc(Cl)c(C)c1.CCOc1cccc(OCc2ccccc2)c1C(=O)Nc1ccc(Cl)c(C)c1.CCOc1cccc2c1C(=O)N(Cc1ccc(Cl)c(C)c1)C2=O.Cc1cc(CN2C(=O)c3cccc(O)c3C2=O)ccc1Cl.Cc1cc(CN2C(=O)c3cccc(OCCN(C)C)c3C2=O)ccc1Cl.Cc1ccc(N2Cc3cccc(O)c3C2=O)cc1C(F)(F)F.[I-].

What is the InChIKey of 2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide?

The InChIKey is WWXIGEPRQHHPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3.C23H22ClNO3.C21H27ClN2O3.C20H21ClN2O3.C18H16ClNO3.C16H12ClNO3.C16H12F3NO2.HI/c1-4-28-21-11-8-12-22(29-16-18-9-6-5-7-10-18)23(21)24(27)26(3)19-13-14-20(25)17(2)15-19;1-3-27-20-10-7-11-21(28-15-17-8-5-4-6-9-17)22(20)23(26)25-18-12-13-19(24)16(2)14-18;1-6-26-18-8-7-9-19(27-13-12-24(3,4)5)20(18)21(25)23-16-10-11-17(22)15(2)14-16;1-13-11-14(7-8-16(13)21)12-23-19(24)15-5-4-6-17(18(15)20(23)25)26-10-9-22(2)3;1-3-23-15-6-4-5-13-16(15)18(22)20(17(13)21)10-12-7-8-14(19)11(2)9-12;1-9-7-10(5-6-12(9)17)8-18-15(20)11-3-2-4-13(19)14(11)16(18)21;1-9-5-6-11(7-12(9)16(17,18)19)20-8-10-3-2-4-13(21)14(10)15(20)22;/h5-15H,4,16H2,1-3H3;4-14H,3,15H2,1-2H3,(H,25,26);7-11,14H,6,12-13H2,1-5H3;4-8,11H,9-10,12H2,1-3H3;4-9H,3,10H2,1-2H3;2-7,19H,8H2,1H3;2-7,21H,8H2,1H3;1H.

What are the key properties of 2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide?

2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide has a molecular weight of 2636.26 g/mol, XLogP of 27.43, 35 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide is sourced from PubChem (CID 158114674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).