4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid

C141H132Cl5F19N10O27S — CID 159159978

About 4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid

4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid (PubChem CID 159159978) has the molecular formula C141H132Cl5F19N10O27S and a molecular weight of 2968.94 g/mol. Its IUPAC name is 4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid.

Molecular Properties

• Compound Name: 4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid
• PubChem CID: 159159978
• Molecular Formula: C141H132Cl5F19N10O27S
• Molecular Weight: 2968.94 g/mol
• Exact Mass: 2964.71
• IUPAC Name: 4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid
• SMILES: COc1cc(NC(C(=O)N2CCc3c(C)cc(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCCC(=O)O)c1.COc1cc(NC(C(=O)N2CCc3c(C)cc(OC(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCCC(=O)O)c1.COc1cc(NC(C(=O)N2CCc3cc(F)c(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCCC(=O)O)c1.COc1cc(NC(C(=O)N2CCc3cc(F)c(OC(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCCC(=O)O)c1.COc1cc(NC(C(=O)N2CCc3ccc(S(F)(F)(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCCC(=O)O)c1
• InChI: InChI=1S/C29H28ClF3N2O6.C29H28ClF3N2O5.C28H25ClF4N2O6.C28H25ClF4N2O5.C27H26ClF5N2O5S/c1-17-12-23(41-29(31,32)33)16-25-24(17)9-10-35(25)28(38)27(18-5-7-19(30)8-6-18)34-20-13-21(39-2)15-22(14-20)40-11-3-4-26(36)37;1-17-12-19(29(31,32)33)13-25-24(17)9-10-35(25)28(38)27(18-5-7-20(30)8-6-18)34-21-14-22(39-2)16-23(15-21)40-11-3-4-26(36)37;1-39-20-12-19(13-21(14-20)40-10-2-3-25(36)37)34-26(16-4-6-18(29)7-5-16)27(38)35-9-8-17-11-22(30)24(15-23(17)35)41-28(31,32)33;1-39-20-12-19(13-21(14-20)40-10-2-3-25(36)37)34-26(16-4-6-18(29)7-5-16)27(38)35-9-8-17-11-23(30)22(15-24(17)35)28(31,32)33;1-39-21-13-20(14-22(15-21)40-12-2-3-25(36)37)34-26(18-4-7-19(28)8-5-18)27(38)35-11-10-17-6-9-23(16-24(17)35)41(29,30,31,32)33/h5-8,12-16,27,34H,3-4,9-11H2,1-2H3,(H,36,37);5-8,12-16,27,34H,3-4,9-11H2,1-2H3,(H,36,37);4-7,11-15,26,34H,2-3,8-10H2,1H3,(H,36,37);4-7,11-15,26,34H,2-3,8-10H2,1H3,(H,36,37);4-9,13-16,26,34H,2-3,10-12H2,1H3,(H,36,37)
• InChIKey: KKJDMLKAIYTJHN-UHFFFAOYSA-N
• XLogP: 34.06
• TPSA: 458.96 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 53
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2968.94
LogP ≤ 5	34.06
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid?

The IUPAC name of 4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid (CID 159159978) is 4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid.

What is the SMILES notation for 4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid?

The canonical SMILES for 4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid is COc1cc(NC(C(=O)N2CCc3c(C)cc(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCCC(=O)O)c1.COc1cc(NC(C(=O)N2CCc3c(C)cc(OC(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCCC(=O)O)c1.COc1cc(NC(C(=O)N2CCc3cc(F)c(C(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCCC(=O)O)c1.COc1cc(NC(C(=O)N2CCc3cc(F)c(OC(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCCC(=O)O)c1.COc1cc(NC(C(=O)N2CCc3ccc(S(F)(F)(F)(F)F)cc32)c2ccc(Cl)cc2)cc(OCCCC(=O)O)c1.

What is the InChIKey of 4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid?

The InChIKey is KKJDMLKAIYTJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N2O6.C29H28ClF3N2O5.C28H25ClF4N2O6.C28H25ClF4N2O5.C27H26ClF5N2O5S/c1-17-12-23(41-29(31,32)33)16-25-24(17)9-10-35(25)28(38)27(18-5-7-19(30)8-6-18)34-20-13-21(39-2)15-22(14-20)40-11-3-4-26(36)37;1-17-12-19(29(31,32)33)13-25-24(17)9-10-35(25)28(38)27(18-5-7-20(30)8-6-18)34-21-14-22(39-2)16-23(15-21)40-11-3-4-26(36)37;1-39-20-12-19(13-21(14-20)40-10-2-3-25(36)37)34-26(16-4-6-18(29)7-5-16)27(38)35-9-8-17-11-22(30)24(15-23(17)35)41-28(31,32)33;1-39-20-12-19(13-21(14-20)40-10-2-3-25(36)37)34-26(16-4-6-18(29)7-5-16)27(38)35-9-8-17-11-23(30)22(15-24(17)35)28(31,32)33;1-39-21-13-20(14-22(15-21)40-12-2-3-25(36)37)34-26(18-4-7-19(28)8-5-18)27(38)35-11-10-17-6-9-23(16-24(17)35)41(29,30,31,32)33/h5-8,12-16,27,34H,3-4,9-11H2,1-2H3,(H,36,37);5-8,12-16,27,34H,3-4,9-11H2,1-2H3,(H,36,37);4-7,11-15,26,34H,2-3,8-10H2,1H3,(H,36,37);4-7,11-15,26,34H,2-3,8-10H2,1H3,(H,36,37);4-9,13-16,26,34H,2-3,10-12H2,1H3,(H,36,37).

What are the key properties of 4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid?

4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid has a molecular weight of 2968.94 g/mol, XLogP of 34.06, 53 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-[4-methyl-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]butanoic acid;4-[3-[[1-(4-chlorophenyl)-2-oxo-2-[6-(pentafluoro-λ6-sulfanyl)-2,3-dihydroindol-1-yl]ethyl]amino]-5-methoxyphenoxy]butanoic acid is sourced from PubChem (CID 159159978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).