lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide

C102H113BrCl3F9LiN7O19 — CID 167651526

About lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide

lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide (PubChem CID 167651526) has the molecular formula C102H113BrCl3F9LiN7O19 and a molecular weight of 2105.24 g/mol. Its IUPAC name is lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide.

Molecular Properties

• Compound Name: lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide
• PubChem CID: 167651526
• Molecular Formula: C102H113BrCl3F9LiN7O19
• Molecular Weight: 2105.24 g/mol
• Exact Mass: 2101.64
• IUPAC Name: lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide
• SMILES: CCN(C(C)C)C(C)C.CCOC(=O)C1CC(Oc2cc(N)cc(OC)c2)C1.CCOC(=O)C1CC(Oc2cc(NC(C(=O)N3CCc4cc(OC)c(C(F)(F)F)cc43)c3ccc(Cl)cc3)cc(OC)c2)C1.COc1cc(NC(C(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OC2CC(C(=O)O)C2)c1.COc1cc2c(cc1C(F)(F)F)N(C(=O)C(Br)c1ccc(Cl)cc1)CC2.[Li+].[OH-]
• InChI: InChI=1S/C32H32ClF3N2O6.C30H28ClF3N2O6.C18H14BrClF3NO2.C14H19NO4.C8H19N.Li.H2O/c1-4-43-31(40)20-11-24(12-20)44-25-15-22(14-23(16-25)41-2)37-29(18-5-7-21(33)8-6-18)30(39)38-10-9-19-13-28(42-3)26(17-27(19)38)32(34,35)36;1-40-21-12-20(13-23(14-21)42-22-9-18(10-22)29(38)39)35-27(16-3-5-19(31)6-4-16)28(37)36-8-7-17-11-26(41-2)24(15-25(17)36)30(32,33)34;1-26-15-8-11-6-7-24(14(11)9-13(15)18(21,22)23)17(25)16(19)10-2-4-12(20)5-3-10;1-3-18-14(16)9-4-12(5-9)19-13-7-10(15)6-11(8-13)17-2;1-6-9(7(2)3)8(4)5;;/h5-8,13-17,20,24,29,37H,4,9-12H2,1-3H3;3-6,11-15,18,22,27,35H,7-10H2,1-2H3,(H,38,39);2-5,8-9,16H,6-7H2,1H3;6-9,12H,3-5,15H2,1-2H3;7-8H,6H2,1-5H3;;1H2/q;;;;;+1;/p-1
• InChIKey: QQLQRXJJVYJYOI-UHFFFAOYSA-M
• XLogP: 19.54
• TPSA: 317.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 30
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2105.24
LogP ≤ 5	19.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide?

The IUPAC name of lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide (CID 167651526) is lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide.

What is the SMILES notation for lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide?

The canonical SMILES for lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide is CCN(C(C)C)C(C)C.CCOC(=O)C1CC(Oc2cc(N)cc(OC)c2)C1.CCOC(=O)C1CC(Oc2cc(NC(C(=O)N3CCc4cc(OC)c(C(F)(F)F)cc43)c3ccc(Cl)cc3)cc(OC)c2)C1.COc1cc(NC(C(=O)N2CCc3cc(OC)c(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OC2CC(C(=O)O)C2)c1.COc1cc2c(cc1C(F)(F)F)N(C(=O)C(Br)c1ccc(Cl)cc1)CC2.[Li+].[OH-].

What is the InChIKey of lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide?

The InChIKey is QQLQRXJJVYJYOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H32ClF3N2O6.C30H28ClF3N2O6.C18H14BrClF3NO2.C14H19NO4.C8H19N.Li.H2O/c1-4-43-31(40)20-11-24(12-20)44-25-15-22(14-23(16-25)41-2)37-29(18-5-7-21(33)8-6-18)30(39)38-10-9-19-13-28(42-3)26(17-27(19)38)32(34,35)36;1-40-21-12-20(13-23(14-21)42-22-9-18(10-22)29(38)39)35-27(16-3-5-19(31)6-4-16)28(37)36-8-7-17-11-26(41-2)24(15-25(17)36)30(32,33)34;1-26-15-8-11-6-7-24(14(11)9-13(15)18(21,22)23)17(25)16(19)10-2-4-12(20)5-3-10;1-3-18-14(16)9-4-12(5-9)19-13-7-10(15)6-11(8-13)17-2;1-6-9(7(2)3)8(4)5;;/h5-8,13-17,20,24,29,37H,4,9-12H2,1-3H3;3-6,11-15,18,22,27,35H,7-10H2,1-2H3,(H,38,39);2-5,8-9,16H,6-7H2,1H3;6-9,12H,3-5,15H2,1-2H3;7-8H,6H2,1-5H3;;1H2/q;;;;;+1;/p-1.

What are the key properties of lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide?

lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide has a molecular weight of 2105.24 g/mol, XLogP of 19.54, 30 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-bromo-2-(4-chlorophenyl)-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone;3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylic acid;ethyl 3-(3-amino-5-methoxyphenoxy)cyclobutane-1-carboxylate;ethyl 3-[3-[[1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutane-1-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;hydroxide is sourced from PubChem (CID 167651526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).