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

C129H119F18N11O25 — CID 173212921

IUPACN-ethyl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-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(OC)cc12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(OC)cc12.CNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(OC)cc12.COc1ccc2c(c1)c(CC(=O)NC(C)C)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1.COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1.COc1ccc2c(c1)c(CC(N)=O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/2C23H23F3N2O4.C22H21F3N2O4.C21H19F3N2O4.C20H17F3N2O4.C20H16F3NO5/c1-13(2)27-21(29)12-18-14(3)28(20-10-9-17(31-4)11-19(18)20)22(30)15-5-7-16(8-6-15)32-23(24,25)26;1-4-11-27-21(29)13-18-14(2)28(20-10-9-17(31-3)12-19(18)20)22(30)15-5-7-16(8-6-15)32-23(24,25)26;1-4-26-20(28)12-17-13(2)27(19-10-9-16(30-3)11-18(17)19)21(29)14-5-7-15(8-6-14)31-22(23,24)25;1-12-16(11-19(27)25-2)17-10-15(29-3)8-9-18(17)26(12)20(28)13-4-6-14(7-5-13)30-21(22,23)24;1-11-15(10-18(24)26)16-9-14(28-2)7-8-17(16)25(11)19(27)12-3-5-13(6-4-12)29-20(21,22)23;1-11-15(10-18(25)26)16-9-14(28-2)7-8-17(16)24(11)19(27)12-3-5-13(6-4-12)29-20(21,22)23/h5-11,13H,12H2,1-4H3,(H,27,29);5-10,12H,4,11,13H2,1-3H3,(H,27,29);5-11H,4,12H2,1-3H3,(H,26,28);4-10H,11H2,1-3H3,(H,25,27);3-9H,10H2,1-2H3,(H2,24,26);3-9H,10H2,1-2H3,(H,25,26)
InChIKeyWPQSNURLSMZHBO-UHFFFAOYSA-N
MW2565.39 g/mol
LogP25.03
Rot. Bonds34

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

N-ethyl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide (PubChem CID 173212921) has the molecular formula C129H119F18N11O25 and a molecular weight of 2565.39 g/mol. Its IUPAC name is N-ethyl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide
PubChem CID173212921
Molecular FormulaC129H119F18N11O25
Molecular Weight2565.39 g/mol
Exact Mass2563.81
IUPAC NameN-ethyl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-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(OC)cc12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(OC)cc12.CNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(OC)cc12.COc1ccc2c(c1)c(CC(=O)NC(C)C)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1.COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1.COc1ccc2c(c1)c(CC(N)=O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/2C23H23F3N2O4.C22H21F3N2O4.C21H19F3N2O4.C20H17F3N2O4.C20H16F3NO5/c1-13(2)27-21(29)12-18-14(3)28(20-10-9-17(31-4)11-19(18)20)22(30)15-5-7-16(8-6-15)32-23(24,25)26;1-4-11-27-21(29)13-18-14(2)28(20-10-9-17(31-3)12-19(18)20)22(30)15-5-7-16(8-6-15)32-23(24,25)26;1-4-26-20(28)12-17-13(2)27(19-10-9-16(30-3)11-18(17)19)21(29)14-5-7-15(8-6-14)31-22(23,24)25;1-12-16(11-19(27)25-2)17-10-15(29-3)8-9-18(17)26(12)20(28)13-4-6-14(7-5-13)30-21(22,23)24;1-11-15(10-18(24)26)16-9-14(28-2)7-8-17(16)25(11)19(27)12-3-5-13(6-4-12)29-20(21,22)23;1-11-15(10-18(25)26)16-9-14(28-2)7-8-17(16)24(11)19(27)12-3-5-13(6-4-12)29-20(21,22)23/h5-11,13H,12H2,1-4H3,(H,27,29);5-10,12H,4,11,13H2,1-3H3,(H,27,29);5-11H,4,12H2,1-3H3,(H,26,28);4-10H,11H2,1-3H3,(H,25,27);3-9H,10H2,1-2H3,(H2,24,26);3-9H,10H2,1-2H3,(H,25,26)
InChIKeyWPQSNURLSMZHBO-UHFFFAOYSA-N
XLogP25.03
TPSA439.55 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds34
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002565.39
LogP ≤ 525.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze N-ethyl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-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-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
The IUPAC name of N-ethyl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide (CID 173212921) is N-ethyl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide.
What is the SMILES notation for N-ethyl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
The canonical SMILES for N-ethyl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-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(OC)cc12.CCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(OC)cc12.CNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccc(OC)cc12.COc1ccc2c(c1)c(CC(=O)NC(C)C)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1.COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1.COc1ccc2c(c1)c(CC(N)=O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
The InChIKey is WPQSNURLSMZHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23F3N2O4.C22H21F3N2O4.C21H19F3N2O4.C20H17F3N2O4.C20H16F3NO5/c1-13(2)27-21(29)12-18-14(3)28(20-10-9-17(31-4)11-19(18)20)22(30)15-5-7-16(8-6-15)32-23(24,25)26;1-4-11-27-21(29)13-18-14(2)28(20-10-9-17(31-3)12-19(18)20)22(30)15-5-7-16(8-6-15)32-23(24,25)26;1-4-26-20(28)12-17-13(2)27(19-10-9-16(30-3)11-18(17)19)21(29)14-5-7-15(8-6-14)31-22(23,24)25;1-12-16(11-19(27)25-2)17-10-15(29-3)8-9-18(17)26(12)20(28)13-4-6-14(7-5-13)30-21(22,23)24;1-11-15(10-18(24)26)16-9-14(28-2)7-8-17(16)25(11)19(27)12-3-5-13(6-4-12)29-20(21,22)23;1-11-15(10-18(25)26)16-9-14(28-2)7-8-17(16)24(11)19(27)12-3-5-13(6-4-12)29-20(21,22)23/h5-11,13H,12H2,1-4H3,(H,27,29);5-10,12H,4,11,13H2,1-3H3,(H,27,29);5-11H,4,12H2,1-3H3,(H,26,28);4-10H,11H2,1-3H3,(H,25,27);3-9H,10H2,1-2H3,(H2,24,26);3-9H,10H2,1-2H3,(H,25,26).
What are the key properties of N-ethyl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide?
N-ethyl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide has a molecular weight of 2565.39 g/mol, XLogP of 25.03, 34 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-methylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide;2-[5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide is sourced from PubChem (CID 173212921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).