5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate

C108H79F15N8O24 — CID 160844444

About 5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate

5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate (PubChem CID 160844444) has the molecular formula C108H79F15N8O24 and a molecular weight of 2157.82 g/mol. Its IUPAC name is 5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate.

Molecular Properties

• Compound Name: 5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate
• PubChem CID: 160844444
• Molecular Formula: C108H79F15N8O24
• Molecular Weight: 2157.82 g/mol
• Exact Mass: 2156.50
• IUPAC Name: 5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate
• SMILES: Cc1c(O)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)cc(C(F)(F)F)c1O.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)OCCCO)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(F)(F)F)cc(N2C(=O)C3C4C=CC(C5C(=O)N(C)C(=O)C45)C3C2=O)c1O
• InChI: InChI=1S/C31H25F3N2O7.C28H18F6N2O6.C28H19F3N2O6.C21H17F3N2O5/c1-16-11-17(29(42)43-10-4-9-37)13-20(12-16)36-27(40)22-8-6-19(15-24(22)28(36)41)30(2,31(32,33)34)18-5-7-21-23(14-18)26(39)35(3)25(21)38;1-11-20(37)18(27(29,30)31)10-19(21(11)38)36-24(41)15-7-5-13(9-17(15)25(36)42)26(2,28(32,33)34)12-4-6-14-16(8-12)23(40)35(3)22(14)39;1-13-8-14(26(38)39)10-17(9-13)33-24(36)19-7-5-16(12-21(19)25(33)37)27(2,28(29,30)31)15-4-6-18-20(11-15)23(35)32(3)22(18)34;1-7-5-8(21(22,23)24)6-11(16(7)27)26-19(30)14-9-3-4-10(15(14)20(26)31)13-12(9)17(28)25(2)18(13)29/h5-8,11-15,37H,4,9-10H2,1-3H3;4-10,37-38H,1-3H3;4-12H,1-3H3,(H,38,39);3-6,9-10,12-15,27H,1-2H3
• InChIKey: SILOIPPMMYRQST-UHFFFAOYSA-N
• XLogP: 16.21
• TPSA: 443.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2157.82
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate?

The IUPAC name of 5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate (CID 160844444) is 5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate.

What is the SMILES notation for 5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate?

The canonical SMILES for 5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate is Cc1c(O)c(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)cc(C(F)(F)F)c1O.Cc1cc(C(=O)O)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(=O)OCCCO)cc(N2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)N(C)C5=O)C(F)(F)F)cc3C2=O)c1.Cc1cc(C(F)(F)F)cc(N2C(=O)C3C4C=CC(C5C(=O)N(C)C(=O)C45)C3C2=O)c1O.

What is the InChIKey of 5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate?

The InChIKey is SILOIPPMMYRQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N2O7.C28H18F6N2O6.C28H19F3N2O6.C21H17F3N2O5/c1-16-11-17(29(42)43-10-4-9-37)13-20(12-16)36-27(40)22-8-6-19(15-24(22)28(36)41)30(2,31(32,33)34)18-5-7-21-23(14-18)26(39)35(3)25(21)38;1-11-20(37)18(27(29,30)31)10-19(21(11)38)36-24(41)15-7-5-13(9-17(15)25(36)42)26(2,28(32,33)34)12-4-6-14-16(8-12)23(40)35(3)22(14)39;1-13-8-14(26(38)39)10-17(9-13)33-24(36)19-7-5-16(12-21(19)25(33)37)27(2,28(29,30)31)15-4-6-18-20(11-15)23(35)32(3)22(18)34;1-7-5-8(21(22,23)24)6-11(16(7)27)26-19(30)14-9-3-4-10(15(14)20(26)31)13-12(9)17(28)25(2)18(13)29/h5-8,11-15,37H,4,9-10H2,1-3H3;4-10,37-38H,1-3H3;4-12H,1-3H3,(H,38,39);3-6,9-10,12-15,27H,1-2H3.

What are the key properties of 5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate?

5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate has a molecular weight of 2157.82 g/mol, XLogP of 16.21, 15 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[2,4-dihydroxy-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-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]-5-methylbenzoic acid;4-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone;3-hydroxypropyl 3-[1,3-dioxo-5-[1,1,1-trifluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindol-2-yl]-5-methylbenzoate is sourced from PubChem (CID 160844444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).