sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide

C106H120Br2Cl3F9N7NaO23 — CID 162066241

About sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide

sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide (PubChem CID 162066241) has the molecular formula C106H120Br2Cl3F9N7NaO23 and a molecular weight of 2320.29 g/mol. Its IUPAC name is sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide.

Molecular Properties

• Compound Name: sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide
• PubChem CID: 162066241
• Molecular Formula: C106H120Br2Cl3F9N7NaO23
• Molecular Weight: 2320.29 g/mol
• Exact Mass: 2315.56
• IUPAC Name: sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide
• SMILES: C.CCOC(=O)CC(C)CBr.CCOC(=O)CC(C)COc1cc(N)cc(OC)c1.CCOC(=O)CC(C)COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OC)c1.COc1cc(N)cc(O)c1.COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCC(C)CC(=O)O)c1.O=C(C(Br)c1ccc(Cl)cc1)N1CCc2ccc(OC(F)(F)F)cc21.[Na+].[OH-]
• InChI: InChI=1S/C31H32ClF3N2O6.C29H28ClF3N2O6.C17H12BrClF3NO2.C14H21NO4.C7H13BrO2.C7H9NO2.CH4.Na.H2O/c1-4-41-28(38)13-19(2)18-42-26-15-23(14-25(16-26)40-3)36-29(21-5-8-22(32)9-6-21)30(39)37-12-11-20-7-10-24(17-27(20)37)43-31(33,34)35;1-17(11-26(36)37)16-40-24-13-21(12-23(14-24)39-2)34-27(19-3-6-20(30)7-4-19)28(38)35-10-9-18-5-8-22(15-25(18)35)41-29(31,32)33;18-15(11-1-4-12(19)5-2-11)16(24)23-8-7-10-3-6-13(9-14(10)23)25-17(20,21)22;1-4-18-14(16)5-10(2)9-19-13-7-11(15)6-12(8-13)17-3;1-3-10-7(9)4-6(2)5-8;1-10-7-3-5(8)2-6(9)4-7;;;/h5-10,14-17,19,29,36H,4,11-13,18H2,1-3H3;3-8,12-15,17,27,34H,9-11,16H2,1-2H3,(H,36,37);1-6,9,15H,7-8H2;6-8,10H,4-5,9,15H2,1-3H3;6H,3-5H2,1-2H3;2-4,9H,8H2,1H3;1H4;;1H2/q;;;;;;;+1;/p-1
• InChIKey: ZAMMBFHAMPSPGP-UHFFFAOYSA-M
• XLogP: 21.36
• TPSA: 395.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 38
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2320.29
LogP ≤ 5	21.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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 sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide?

The IUPAC name of sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide (CID 162066241) is sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide.

What is the SMILES notation for sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide?

The canonical SMILES for sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide is C.CCOC(=O)CC(C)CBr.CCOC(=O)CC(C)COc1cc(N)cc(OC)c1.CCOC(=O)CC(C)COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OC)c1.COc1cc(N)cc(O)c1.COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCC(C)CC(=O)O)c1.O=C(C(Br)c1ccc(Cl)cc1)N1CCc2ccc(OC(F)(F)F)cc21.[Na+].[OH-].

What is the InChIKey of sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide?

The InChIKey is ZAMMBFHAMPSPGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H32ClF3N2O6.C29H28ClF3N2O6.C17H12BrClF3NO2.C14H21NO4.C7H13BrO2.C7H9NO2.CH4.Na.H2O/c1-4-41-28(38)13-19(2)18-42-26-15-23(14-25(16-26)40-3)36-29(21-5-8-22(32)9-6-21)30(39)37-12-11-20-7-10-24(17-27(20)37)43-31(33,34)35;1-17(11-26(36)37)16-40-24-13-21(12-23(14-24)39-2)34-27(19-3-6-20(30)7-4-19)28(38)35-10-9-18-5-8-22(15-25(18)35)41-29(31,32)33;18-15(11-1-4-12(19)5-2-11)16(24)23-8-7-10-3-6-13(9-14(10)23)25-17(20,21)22;1-4-18-14(16)5-10(2)9-19-13-7-11(15)6-12(8-13)17-3;1-3-10-7(9)4-6(2)5-8;1-10-7-3-5(8)2-6(9)4-7;;;/h5-10,14-17,19,29,36H,4,11-13,18H2,1-3H3;3-8,12-15,17,27,34H,9-11,16H2,1-2H3,(H,36,37);1-6,9,15H,7-8H2;6-8,10H,4-5,9,15H2,1-3H3;6H,3-5H2,1-2H3;2-4,9H,8H2,1H3;1H4;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide?

sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide has a molecular weight of 2320.29 g/mol, XLogP of 21.36, 38 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-amino-5-methoxyphenol;2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoic acid;ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate;ethyl 4-bromo-3-methylbutanoate;ethyl 4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-3-methylbutanoate;methane;hydroxide is sourced from PubChem (CID 162066241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).