N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane

C122H125Cl6N9O17 — CID 158244518

About N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane

N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane (PubChem CID 158244518) has the molecular formula C122H125Cl6N9O17 and a molecular weight of 2202.11 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane.

Molecular Properties

• Compound Name: N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane
• PubChem CID: 158244518
• Molecular Formula: C122H125Cl6N9O17
• Molecular Weight: 2202.11 g/mol
• Exact Mass: 2197.73
• IUPAC Name: N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane
• SMILES: C.CCOc1cccc(NCCN(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
• InChI: InChI=1S/C24H24ClNO3.C23H22ClNO3.C20H26ClN3O2.C20H21ClN2O3.C18H16ClNO3.C16H12ClNO3.CH4/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;1-5-26-18-8-6-7-17(22-11-12-24(3)4)19(18)20(25)23-15-9-10-16(21)14(2)13-15;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;/h5-15H,4,16H2,1-3H3;4-14H,3,15H2,1-2H3,(H,25,26);6-10,13,22H,5,11-12H2,1-4H3,(H,23,25);4-8,11H,9-10,12H2,1-3H3;4-9H,3,10H2,1-2H3;2-7,19H,8H2,1H3;1H4
• InChIKey: GFYNDZDUEGATNH-UHFFFAOYSA-N
• XLogP: 27.07
• TPSA: 294.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2202.11
LogP ≤ 5	27.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane?

The IUPAC name of N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane (CID 158244518) is N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane.

What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane?

The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane is C.CCOc1cccc(NCCN(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.

What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane?

The InChIKey is GFYNDZDUEGATNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3.C23H22ClNO3.C20H26ClN3O2.C20H21ClN2O3.C18H16ClNO3.C16H12ClNO3.CH4/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;1-5-26-18-8-6-7-17(22-11-12-24(3)4)19(18)20(25)23-15-9-10-16(21)14(2)13-15;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;/h5-15H,4,16H2,1-3H3;4-14H,3,15H2,1-2H3,(H,25,26);6-10,13,22H,5,11-12H2,1-4H3,(H,23,25);4-8,11H,9-10,12H2,1-3H3;4-9H,3,10H2,1-2H3;2-7,19H,8H2,1H3;1H4.

What are the key properties of N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane?

N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane has a molecular weight of 2202.11 g/mol, XLogP of 27.07, 34 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]-6-ethoxybenzamide;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;methane is sourced from PubChem (CID 158244518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).