4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane

C184H190Cl6F18N12O32 — CID 167564459

About 4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane

4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane (PubChem CID 167564459) has the molecular formula C184H190Cl6F18N12O32 and a molecular weight of 3636.28 g/mol. Its IUPAC name is 4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane.

Molecular Properties

• Compound Name: 4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane
• PubChem CID: 167564459
• Molecular Formula: C184H190Cl6F18N12O32
• Molecular Weight: 3636.28 g/mol
• Exact Mass: 3631.15
• IUPAC Name: 4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane
• SMILES: C.COc1cc(NC(C(=O)N2CCc3cc(C)c(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCC(C)(C)C(C)=O)c1.COc1cc(NC(C(=O)N2CCc3cc(C)c(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCC(C)C(=O)O)c1.COc1cc(NC(C(=O)N2CCc3cc(C)c(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCC(C)C(=O)O)c1.COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2C)cc(OCCC(C)(C)C(=O)O)c1.COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2C)cc(OCCC(C)C(=O)O)c1.COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2C)cc(OCCC(C)C(=O)O)c1
• InChI: InChI=1S/C32H34ClF3N2O4.C31H32ClF3N2O6.2C30H30ClF3N2O6.2C30H30ClF3N2O5.CH4/c1-19-14-22-10-12-38(28(22)18-27(19)32(34,35)36)30(40)29(21-6-8-23(33)9-7-21)37-24-15-25(41-5)17-26(16-24)42-13-11-31(3,4)20(2)39;1-18-13-20(32)6-8-25(18)27(28(38)37-11-9-19-5-7-22(17-26(19)37)43-31(33,34)35)36-21-14-23(41-4)16-24(15-21)42-12-10-30(2,3)29(39)40;2*1-17(29(38)39)9-11-41-24-14-21(13-23(15-24)40-3)35-27(25-7-5-20(31)12-18(25)2)28(37)36-10-8-19-4-6-22(16-26(19)36)42-30(32,33)34;2*1-17(29(38)39)9-11-41-24-14-22(13-23(15-24)40-3)35-27(19-4-6-21(31)7-5-19)28(37)36-10-8-20-12-18(2)25(16-26(20)36)30(32,33)34;/h6-9,14-18,29,37H,10-13H2,1-5H3;5-8,13-17,27,36H,9-12H2,1-4H3,(H,39,40);2*4-7,12-17,27,35H,8-11H2,1-3H3,(H,38,39);2*4-7,12-17,27,35H,8-11H2,1-3H3,(H,38,39);1H4
• InChIKey: FCDVSVPPWGZYHU-UHFFFAOYSA-N
• XLogP: 43.01
• TPSA: 536.06 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 63
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3636.28
LogP ≤ 5	43.01
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane?

The IUPAC name of 4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane (CID 167564459) is 4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane.

What is the SMILES notation for 4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane?

The canonical SMILES for 4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane is C.COc1cc(NC(C(=O)N2CCc3cc(C)c(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCC(C)(C)C(C)=O)c1.COc1cc(NC(C(=O)N2CCc3cc(C)c(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCC(C)C(=O)O)c1.COc1cc(NC(C(=O)N2CCc3cc(C)c(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCC(C)C(=O)O)c1.COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2C)cc(OCCC(C)(C)C(=O)O)c1.COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2C)cc(OCCC(C)C(=O)O)c1.COc1cc(NC(C(=O)N2CCc3ccc(OC(F)(F)F)cc32)c2ccc(Cl)cc2C)cc(OCCC(C)C(=O)O)c1.

What is the InChIKey of 4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane?

The InChIKey is FCDVSVPPWGZYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClF3N2O4.C31H32ClF3N2O6.2C30H30ClF3N2O6.2C30H30ClF3N2O5.CH4/c1-19-14-22-10-12-38(28(22)18-27(19)32(34,35)36)30(40)29(21-6-8-23(33)9-7-21)37-24-15-25(41-5)17-26(16-24)42-13-11-31(3,4)20(2)39;1-18-13-20(32)6-8-25(18)27(28(38)37-11-9-19-5-7-22(17-26(19)37)43-31(33,34)35)36-21-14-23(41-4)16-24(15-21)42-12-10-30(2,3)29(39)40;2*1-17(29(38)39)9-11-41-24-14-21(13-23(15-24)40-3)35-27(25-7-5-20(31)12-18(25)2)28(37)36-10-8-19-4-6-22(16-26(19)36)42-30(32,33)34;2*1-17(29(38)39)9-11-41-24-14-22(13-23(15-24)40-3)35-27(19-4-6-21(31)7-5-19)28(37)36-10-8-20-12-18(2)25(16-26(20)36)30(32,33)34;/h6-9,14-18,29,37H,10-13H2,1-5H3;5-8,13-17,27,36H,9-12H2,1-4H3,(H,39,40);2*4-7,12-17,27,35H,8-11H2,1-3H3,(H,38,39);2*4-7,12-17,27,35H,8-11H2,1-3H3,(H,38,39);1H4.

What are the key properties of 4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane?

4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane has a molecular weight of 3636.28 g/mol, XLogP of 43.01, 63 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2,2-dimethylbutanoic acid;bis(4-[3-[[1-(4-chloro-2-methylphenyl)-2-oxo-2-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);5-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-3,3-dimethylpentan-2-one;bis(4-[3-[[1-(4-chlorophenyl)-2-[5-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]-2-methylbutanoic acid);methane is sourced from PubChem (CID 167564459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).