2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide
C123H95F30N11O25 — CID 173212877
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12.CNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12.Cc1c(CC(=O)NC(C)C)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(N)=O)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/2C22H19F5N2O4.C21H17F5N2O4.C20H15F5N2O4.C19H13F5N2O4.C19H12F5NO5/c1-10(2)28-17(30)8-14-11(3)29(16-9-15(23)20(31)19(24)18(14)16)21(32)12-4-6-13(7-5-12)33-22(25,26)27;1-3-8-28-17(30)9-14-11(2)29(16-10-15(23)20(31)19(24)18(14)16)21(32)12-4-6-13(7-5-12)33-22(25,26)27;1-3-27-16(29)8-13-10(2)28(15-9-14(22)19(30)18(23)17(13)15)20(31)11-4-6-12(7-5-11)32-21(24,25)26;1-9-12(7-15(28)26-2)16-14(8-13(21)18(29)17(16)22)27(9)19(30)10-3-5-11(6-4-10)31-20(23,24)25;1-8-11(6-14(25)27)15-13(7-12(20)17(28)16(15)21)26(8)18(29)9-2-4-10(5-3-9)30-19(22,23)24;1-8-11(6-14(26)27)15-13(7-12(20)17(28)16(15)21)25(8)18(29)9-2-4-10(5-3-9)30-19(22,23)24/h4-7,9-10,31H,8H2,1-3H3,(H,28,30);4-7,10,31H,3,8-9H2,1-2H3,(H,28,30);4-7,9,30H,3,8H2,1-2H3,(H,27,29);3-6,8,29H,7H2,1-2H3,(H,26,28);2-5,7,28H,6H2,1H3,(H2,25,27);2-5,7,28H,6H2,1H3,(H,26,27)
InChIKeyWFOUXBNYVAAHKE-UHFFFAOYSA-N
MW2697.10 g/mol
LogP24.88
Rot. Bonds28
About 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide
2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide (PubChem CID 173212877) has the molecular formula C123H95F30N11O25 and a molecular weight of 2697.10 g/mol. Its IUPAC name is 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide.
Molecular Properties
| Compound Name | 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide |
|---|---|
| PubChem CID | 173212877 |
| Molecular Formula | C123H95F30N11O25 |
| Molecular Weight | 2697.10 g/mol |
| Exact Mass | 2695.60 |
| IUPAC Name | 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide |
| SMILES | CCCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12.CNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12.Cc1c(CC(=O)NC(C)C)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(N)=O)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1 |
| InChI | InChI=1S/2C22H19F5N2O4.C21H17F5N2O4.C20H15F5N2O4.C19H13F5N2O4.C19H12F5NO5/c1-10(2)28-17(30)8-14-11(3)29(16-9-15(23)20(31)19(24)18(14)16)21(32)12-4-6-13(7-5-12)33-22(25,26)27;1-3-8-28-17(30)9-14-11(2)29(16-10-15(23)20(31)19(24)18(14)16)21(32)12-4-6-13(7-5-12)33-22(25,26)27;1-3-27-16(29)8-13-10(2)28(15-9-14(22)19(30)18(23)17(13)15)20(31)11-4-6-12(7-5-11)32-21(24,25)26;1-9-12(7-15(28)26-2)16-14(8-13(21)18(29)17(16)22)27(9)19(30)10-3-5-11(6-4-10)31-20(23,24)25;1-8-11(6-14(25)27)15-13(7-12(20)17(28)16(15)21)26(8)18(29)9-2-4-10(5-3-9)30-19(22,23)24;1-8-11(6-14(26)27)15-13(7-12(20)17(28)16(15)21)25(8)18(29)9-2-4-10(5-3-9)30-19(22,23)24/h4-7,9-10,31H,8H2,1-3H3,(H,28,30);4-7,10,31H,3,8-9H2,1-2H3,(H,28,30);4-7,9,30H,3,8H2,1-2H3,(H,27,29);3-6,8,29H,7H2,1-2H3,(H,26,28);2-5,7,28H,6H2,1H3,(H2,25,27);2-5,7,28H,6H2,1H3,(H,26,27) |
| InChIKey | WFOUXBNYVAAHKE-UHFFFAOYSA-N |
| XLogP | 24.88 |
| TPSA | 505.55 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 189 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2697.10 |
| LogP ≤ 5 | 24.88 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 30 |
Frequently Asked Questions
What is the IUPAC name of 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
The IUPAC name of 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide (CID 173212877) is 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide is CCCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12.CNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12.Cc1c(CC(=O)NC(C)C)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(N)=O)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
The InChIKey is WFOUXBNYVAAHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H19F5N2O4.C21H17F5N2O4.C20H15F5N2O4.C19H13F5N2O4.C19H12F5NO5/c1-10(2)28-17(30)8-14-11(3)29(16-9-15(23)20(31)19(24)18(14)16)21(32)12-4-6-13(7-5-12)33-22(25,26)27;1-3-8-28-17(30)9-14-11(2)29(16-10-15(23)20(31)19(24)18(14)16)21(32)12-4-6-13(7-5-12)33-22(25,26)27;1-3-27-16(29)8-13-10(2)28(15-9-14(22)19(30)18(23)17(13)15)20(31)11-4-6-12(7-5-11)32-21(24,25)26;1-9-12(7-15(28)26-2)16-14(8-13(21)18(29)17(16)22)27(9)19(30)10-3-5-11(6-4-10)31-20(23,24)25;1-8-11(6-14(25)27)15-13(7-12(20)17(28)16(15)21)26(8)18(29)9-2-4-10(5-3-9)30-19(22,23)24;1-8-11(6-14(26)27)15-13(7-12(20)17(28)16(15)21)25(8)18(29)9-2-4-10(5-3-9)30-19(22,23)24/h4-7,9-10,31H,8H2,1-3H3,(H,28,30);4-7,10,31H,3,8-9H2,1-2H3,(H,28,30);4-7,9,30H,3,8H2,1-2H3,(H,27,29);3-6,8,29H,7H2,1-2H3,(H,26,28);2-5,7,28H,6H2,1H3,(H2,25,27);2-5,7,28H,6H2,1H3,(H,26,27).
What are the key properties of 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide has a molecular weight of 2697.10 g/mol, XLogP of 24.88, 28 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-ethylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[4,6-difluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide is sourced from PubChem (CID 173212877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 173212877 — identifiers, structure, computed properties (public domain)
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