4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate

C151H119F15N12O30 — CID 157185573

About 4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate

4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate (PubChem CID 157185573) has the molecular formula C151H119F15N12O30 and a molecular weight of 2866.64 g/mol. Its IUPAC name is 4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate.

Molecular Properties

• Compound Name: 4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate
• PubChem CID: 157185573
• Molecular Formula: C151H119F15N12O30
• Molecular Weight: 2866.64 g/mol
• Exact Mass: 2864.79
• IUPAC Name: 4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate
• SMILES: COC(=O)c1cc(C)c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.COc1c(C)cc(C(=O)O)cc1N1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1N(C)C.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1N1CCOCC1.Cc1cc(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c(C)c1C
• InChI: InChI=1S/C32H26F3N3O7.C30H24F3N3O6.C30H23F3N2O6.C30H25F3N2O4.C29H21F3N2O7/c1-16-12-17(30(43)44)13-24(25(16)37-8-10-45-11-9-37)38-28(41)21-7-5-19(15-23(21)29(38)42)31(2,32(33,34)35)18-4-6-20-22(14-18)27(40)36(3)26(20)39;1-14-10-15(28(41)42)11-22(23(14)34(3)4)36-26(39)19-9-7-17(13-21(19)27(36)40)29(2,30(31,32)33)16-6-8-18-20(12-16)25(38)35(5)24(18)37;1-14-10-16(28(40)41-5)11-23(15(14)2)35-26(38)20-9-7-18(13-22(20)27(35)39)29(3,30(31,32)33)17-6-8-19-21(12-17)25(37)34(4)24(19)36;1-14-11-15(2)24(17(4)16(14)3)35-27(38)21-10-8-19(13-23(21)28(35)39)29(5,30(31,32)33)18-7-9-20-22(12-18)26(37)34(6)25(20)36;1-13-9-14(27(39)40)10-21(22(13)41-4)34-25(37)18-8-6-16(12-20(18)26(34)38)28(2,29(30,31)32)15-5-7-17-19(11-15)24(36)33(3)23(17)35/h4-7,12-15H,8-11H2,1-3H3,(H,43,44);6-13H,1-5H3,(H,41,42);6-13H,1-5H3;7-13H,1-6H3;5-12H,1-4H3,(H,39,40)
• InChIKey: APBSLHCWMBSCBB-UHFFFAOYSA-N
• XLogP: 24.47
• TPSA: 536.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2866.64
LogP ≤ 5	24.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate?

The IUPAC name of 4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate (CID 157185573) is 4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate.

What is the SMILES notation for 4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate?

The canonical SMILES for 4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate is COC(=O)c1cc(C)c(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.COc1c(C)cc(C(=O)O)cc1N1C(=O)c2ccc(C(C)(c3ccc4c(c3)C(=O)N(C)C4=O)C(F)(F)F)cc2C1=O.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1N(C)C.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1N1CCOCC1.Cc1cc(C)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c(C)c1C.

What is the InChIKey of 4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate?

The InChIKey is APBSLHCWMBSCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3N3O7.C30H24F3N3O6.C30H23F3N2O6.C30H25F3N2O4.C29H21F3N2O7/c1-16-12-17(30(43)44)13-24(25(16)37-8-10-45-11-9-37)38-28(41)21-7-5-19(15-23(21)29(38)42)31(2,32(33,34)35)18-4-6-20-22(14-18)27(40)36(3)26(20)39;1-14-10-15(28(41)42)11-22(23(14)34(3)4)36-26(39)19-9-7-17(13-21(19)27(36)40)29(2,30(31,32)33)16-6-8-18-20(12-16)25(38)35(5)24(18)37;1-14-10-16(28(40)41-5)11-23(15(14)2)35-26(38)20-9-7-18(13-22(20)27(35)39)29(3,30(31,32)33)17-6-8-19-21(12-17)25(37)34(4)24(19)36;1-14-11-15(2)24(17(4)16(14)3)35-27(38)21-10-8-19(13-23(21)28(35)39)29(5,30(31,32)33)18-7-9-20-22(12-18)26(37)34(6)25(20)36;1-13-9-14(27(39)40)10-21(22(13)41-4)34-25(37)18-8-6-16(12-20(18)26(34)38)28(2,29(30,31)32)15-5-7-17-19(11-15)24(36)33(3)23(17)35/h4-7,12-15H,8-11H2,1-3H3,(H,43,44);6-13H,1-5H3,(H,41,42);6-13H,1-5H3;7-13H,1-6H3;5-12H,1-4H3,(H,39,40).

What are the key properties of 4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate?

4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate has a molecular weight of 2866.64 g/mol, XLogP of 24.47, 22 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoic acid;5-[2-[1,3-dioxo-2-(2,3,4,6-tetramethylphenyl)isoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4-methoxy-5-methylbenzoic acid;3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methyl-4-morpholin-4-ylbenzoic acid;methyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-4,5-dimethylbenzoate is sourced from PubChem (CID 157185573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).