lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide

C140H161BrCl6F6LiN7O28 — CID 159373282

About lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide

lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide (PubChem CID 159373282) has the molecular formula C140H161BrCl6F6LiN7O28 and a molecular weight of 2803.40 g/mol. Its IUPAC name is lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide.

Molecular Properties

• Compound Name: lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide
• PubChem CID: 159373282
• Molecular Formula: C140H161BrCl6F6LiN7O28
• Molecular Weight: 2803.40 g/mol
• Exact Mass: 2797.88
• IUPAC Name: lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide
• SMILES: COC(=O)C(Br)c1ccc(Cl)cc1.COC(=O)C(Nc1cc(OC)cc(OCCOC(C)(C)C)c1)c1ccc(Cl)cc1.COC(=O)Cc1ccc(Cl)cc1.COc1cc(N)cc(OCCOC(C)(C)C)c1.COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCO)c1.COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCOC(C)(C)C)c1.COc1cc(NC(C(=O)O)c2ccc(Cl)cc2)cc(OCCOC(C)(C)C)c1.Cc1ccc2c(c1)CCC2.[Li+].[OH-]
• InChI: InChI=1S/C30H32ClF3N2O5.C26H24ClF3N2O5.C22H28ClNO5.C21H26ClNO5.C13H21NO3.C10H12.C9H8BrClO2.C9H9ClO2.Li.H2O/c1-29(2,3)40-14-13-39-25-16-22(15-24(17-25)38-4)35-27(20-5-8-21(31)9-6-20)28(37)36-12-11-19-7-10-23(18-26(19)36)41-30(32,33)34;1-35-21-12-19(13-22(14-21)36-11-10-33)31-24(17-2-5-18(27)6-3-17)25(34)32-9-8-16-4-7-20(15-23(16)32)37-26(28,29)30;1-22(2,3)29-11-10-28-19-13-17(12-18(14-19)26-4)24-20(21(25)27-5)15-6-8-16(23)9-7-15;1-21(2,3)28-10-9-27-18-12-16(11-17(13-18)26-4)23-19(20(24)25)14-5-7-15(22)8-6-14;1-13(2,3)17-6-5-16-12-8-10(14)7-11(9-12)15-4;1-8-5-6-9-3-2-4-10(9)7-8;1-13-9(12)8(10)6-2-4-7(11)5-3-6;1-12-9(11)6-7-2-4-8(10)5-3-7;;/h5-10,15-18,27,35H,11-14H2,1-4H3;2-7,12-15,24,31,33H,8-11H2,1H3;6-9,12-14,20,24H,10-11H2,1-5H3;5-8,11-13,19,23H,9-10H2,1-4H3,(H,24,25);7-9H,5-6,14H2,1-4H3;5-7H,2-4H2,1H3;2-5,8H,1H3;2-5H,6H2,1H3;;1H2/q;;;;;;;;+1;/p-1
• InChIKey: LJZVACJEBDHLAA-UHFFFAOYSA-M
• XLogP: 28.98
• TPSA: 428.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 46
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2803.40
LogP ≤ 5	28.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide?

The IUPAC name of lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide (CID 159373282) is lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide.

What is the SMILES notation for lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide?

The canonical SMILES for lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide is COC(=O)C(Br)c1ccc(Cl)cc1.COC(=O)C(Nc1cc(OC)cc(OCCOC(C)(C)C)c1)c1ccc(Cl)cc1.COC(=O)Cc1ccc(Cl)cc1.COc1cc(N)cc(OCCOC(C)(C)C)c1.COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCO)c1.COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCOC(C)(C)C)c1.COc1cc(NC(C(=O)O)c2ccc(Cl)cc2)cc(OCCOC(C)(C)C)c1.Cc1ccc2c(c1)CCC2.[Li+].[OH-].

What is the InChIKey of lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide?

The InChIKey is LJZVACJEBDHLAA-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H32ClF3N2O5.C26H24ClF3N2O5.C22H28ClNO5.C21H26ClNO5.C13H21NO3.C10H12.C9H8BrClO2.C9H9ClO2.Li.H2O/c1-29(2,3)40-14-13-39-25-16-22(15-24(17-25)38-4)35-27(20-5-8-21(31)9-6-20)28(37)36-12-11-19-7-10-23(18-26(19)36)41-30(32,33)34;1-35-21-12-19(13-22(14-21)36-11-10-33)31-24(17-2-5-18(27)6-3-17)25(34)32-9-8-16-4-7-20(15-23(16)32)37-26(28,29)30;1-22(2,3)29-11-10-28-19-13-17(12-18(14-19)26-4)24-20(21(25)27-5)15-6-8-16(23)9-7-15;1-21(2,3)28-10-9-27-18-12-16(11-17(13-18)26-4)23-19(20(24)25)14-5-7-15(22)8-6-14;1-13(2,3)17-6-5-16-12-8-10(14)7-11(9-12)15-4;1-8-5-6-9-3-2-4-10(9)7-8;1-13-9(12)8(10)6-2-4-7(11)5-3-6;1-12-9(11)6-7-2-4-8(10)5-3-7;;/h5-10,15-18,27,35H,11-14H2,1-4H3;2-7,12-15,24,31,33H,8-11H2,1H3;6-9,12-14,20,24H,10-11H2,1-5H3;5-8,11-13,19,23H,9-10H2,1-4H3,(H,24,25);7-9H,5-6,14H2,1-4H3;5-7H,2-4H2,1H3;2-5,8H,1H3;2-5H,6H2,1H3;;1H2/q;;;;;;;;+1;/p-1.

What are the key properties of lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide?

lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide has a molecular weight of 2803.40 g/mol, XLogP of 28.98, 46 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-(4-chlorophenyl)-2-[3-(2-hydroxyethoxy)-5-methoxyanilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetic acid;2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline;methyl 2-bromo-2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)acetate;methyl 2-(4-chlorophenyl)-2-[3-methoxy-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]anilino]acetate;5-methyl-2,3-dihydro-1H-indene;hydroxide is sourced from PubChem (CID 159373282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).