N-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide

C123H107F18N11O25 — CID 173212900

IUPACN-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[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)c2ccc(O)cc12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(O)cc12.CNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(O)cc12.Cc1c(CC(=O)NC(C)C)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(N)=O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/2C22H21F3N2O4.C21H19F3N2O4.C20H17F3N2O4.C19H15F3N2O4.C19H14F3NO5/c1-12(2)26-20(29)11-17-13(3)27(19-9-6-15(28)10-18(17)19)21(30)14-4-7-16(8-5-14)31-22(23,24)25;1-3-10-26-20(29)12-17-13(2)27(19-9-6-15(28)11-18(17)19)21(30)14-4-7-16(8-5-14)31-22(23,24)25;1-3-25-19(28)11-16-12(2)26(18-9-6-14(27)10-17(16)18)20(29)13-4-7-15(8-5-13)30-21(22,23)24;1-11-15(10-18(27)24-2)16-9-13(26)5-8-17(16)25(11)19(28)12-3-6-14(7-4-12)29-20(21,22)23;1-10-14(9-17(23)26)15-8-12(25)4-7-16(15)24(10)18(27)11-2-5-13(6-3-11)28-19(20,21)22;1-10-14(9-17(25)26)15-8-12(24)4-7-16(15)23(10)18(27)11-2-5-13(6-3-11)28-19(20,21)22/h4-10,12,28H,11H2,1-3H3,(H,26,29);4-9,11,28H,3,10,12H2,1-2H3,(H,26,29);4-10,27H,3,11H2,1-2H3,(H,25,28);3-9,26H,10H2,1-2H3,(H,24,27);2-8,25H,9H2,1H3,(H2,23,26);2-8,24H,9H2,1H3,(H,25,26)
InChIKeyKYDAXIGJSQUQSG-UHFFFAOYSA-N
MW2481.22 g/mol
LogP23.21
Rot. Bonds28

About N-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide

N-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide (PubChem CID 173212900) has the molecular formula C123H107F18N11O25 and a molecular weight of 2481.22 g/mol. Its IUPAC name is N-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide
PubChem CID173212900
Molecular FormulaC123H107F18N11O25
Molecular Weight2481.22 g/mol
Exact Mass2479.72
IUPAC NameN-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[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)c2ccc(O)cc12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(O)cc12.CNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(O)cc12.Cc1c(CC(=O)NC(C)C)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(N)=O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/2C22H21F3N2O4.C21H19F3N2O4.C20H17F3N2O4.C19H15F3N2O4.C19H14F3NO5/c1-12(2)26-20(29)11-17-13(3)27(19-9-6-15(28)10-18(17)19)21(30)14-4-7-16(8-5-14)31-22(23,24)25;1-3-10-26-20(29)12-17-13(2)27(19-9-6-15(28)11-18(17)19)21(30)14-4-7-16(8-5-14)31-22(23,24)25;1-3-25-19(28)11-16-12(2)26(18-9-6-14(27)10-17(16)18)20(29)13-4-7-15(8-5-13)30-21(22,23)24;1-11-15(10-18(27)24-2)16-9-13(26)5-8-17(16)25(11)19(28)12-3-6-14(7-4-12)29-20(21,22)23;1-10-14(9-17(23)26)15-8-12(25)4-7-16(15)24(10)18(27)11-2-5-13(6-3-11)28-19(20,21)22;1-10-14(9-17(25)26)15-8-12(24)4-7-16(15)23(10)18(27)11-2-5-13(6-3-11)28-19(20,21)22/h4-10,12,28H,11H2,1-3H3,(H,26,29);4-9,11,28H,3,10,12H2,1-2H3,(H,26,29);4-10,27H,3,11H2,1-2H3,(H,25,28);3-9,26H,10H2,1-2H3,(H,24,27);2-8,25H,9H2,1H3,(H2,23,26);2-8,24H,9H2,1H3,(H,25,26)
InChIKeyKYDAXIGJSQUQSG-UHFFFAOYSA-N
XLogP23.21
TPSA505.55 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002481.22
LogP ≤ 523.21
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze N-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
The IUPAC name of N-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide (CID 173212900) is N-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide.
What is the SMILES notation for N-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
The canonical SMILES for N-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[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)c2ccc(O)cc12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(O)cc12.CNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(O)cc12.Cc1c(CC(=O)NC(C)C)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(N)=O)c2cc(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
The InChIKey is KYDAXIGJSQUQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21F3N2O4.C21H19F3N2O4.C20H17F3N2O4.C19H15F3N2O4.C19H14F3NO5/c1-12(2)26-20(29)11-17-13(3)27(19-9-6-15(28)10-18(17)19)21(30)14-4-7-16(8-5-14)31-22(23,24)25;1-3-10-26-20(29)12-17-13(2)27(19-9-6-15(28)11-18(17)19)21(30)14-4-7-16(8-5-14)31-22(23,24)25;1-3-25-19(28)11-16-12(2)26(18-9-6-14(27)10-17(16)18)20(29)13-4-7-15(8-5-13)30-21(22,23)24;1-11-15(10-18(27)24-2)16-9-13(26)5-8-17(16)25(11)19(28)12-3-6-14(7-4-12)29-20(21,22)23;1-10-14(9-17(23)26)15-8-12(25)4-7-16(15)24(10)18(27)11-2-5-13(6-3-11)28-19(20,21)22;1-10-14(9-17(25)26)15-8-12(24)4-7-16(15)23(10)18(27)11-2-5-13(6-3-11)28-19(20,21)22/h4-10,12,28H,11H2,1-3H3,(H,26,29);4-9,11,28H,3,10,12H2,1-2H3,(H,26,29);4-10,27H,3,11H2,1-2H3,(H,25,28);3-9,26H,10H2,1-2H3,(H,24,27);2-8,25H,9H2,1H3,(H2,23,26);2-8,24H,9H2,1H3,(H,25,26).
What are the key properties of N-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
N-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide has a molecular weight of 2481.22 g/mol, XLogP of 23.21, 28 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide is sourced from PubChem (CID 173212900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).