2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide

C109H123F7N8O6 — CID 158813335

IUPAC2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide
SMILESCC(C)(C)c1ccc(Cn2cc(CC(N)=O)c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc1.CCCCCCCCn1cc(CC(N)=O)c2cc(-c3ccc(Oc4ccccc4)cc3)ccc21.CCCCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(F)c3)ccc21.CCCCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(OCC)c3)ccc21
InChIInChI=1S/C30H34N2O2.C29H26F6N2O.C26H34N2O2.C24H29FN2O/c1-2-3-4-5-6-10-19-32-22-25(21-30(31)33)28-20-24(15-18-29(28)32)23-13-16-27(17-14-23)34-26-11-8-7-9-12-26;1-27(2,3)21-7-4-17(5-8-21)15-37-16-20(13-26(36)38)24-12-18(6-9-25(24)37)19-10-22(28(30,31)32)14-23(11-19)29(33,34)35;1-3-5-6-7-8-9-15-28-19-22(18-26(27)29)24-17-21(13-14-25(24)28)20-11-10-12-23(16-20)30-4-2;1-2-3-4-5-6-7-13-27-17-20(16-24(26)28)22-15-19(11-12-23(22)27)18-9-8-10-21(25)14-18/h7-9,11-18,20,22H,2-6,10,19,21H2,1H3,(H2,31,33);4-12,14,16H,13,15H2,1-3H3,(H2,36,38);10-14,16-17,19H,3-9,15,18H2,1-2H3,(H2,27,29);8-12,14-15,17H,2-7,13,16H2,1H3,(H2,26,28)
InChIKeyIUYOGZAJYSXSMR-UHFFFAOYSA-N
MW1774.22 g/mol
LogP27.14
Rot. Bonds39

About 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide

2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide (PubChem CID 158813335) has the molecular formula C109H123F7N8O6 and a molecular weight of 1774.22 g/mol. Its IUPAC name is 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide
PubChem CID158813335
Molecular FormulaC109H123F7N8O6
Molecular Weight1774.22 g/mol
Exact Mass1772.95
IUPAC Name2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide
SMILESCC(C)(C)c1ccc(Cn2cc(CC(N)=O)c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc1.CCCCCCCCn1cc(CC(N)=O)c2cc(-c3ccc(Oc4ccccc4)cc3)ccc21.CCCCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(F)c3)ccc21.CCCCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(OCC)c3)ccc21
InChIInChI=1S/C30H34N2O2.C29H26F6N2O.C26H34N2O2.C24H29FN2O/c1-2-3-4-5-6-10-19-32-22-25(21-30(31)33)28-20-24(15-18-29(28)32)23-13-16-27(17-14-23)34-26-11-8-7-9-12-26;1-27(2,3)21-7-4-17(5-8-21)15-37-16-20(13-26(36)38)24-12-18(6-9-25(24)37)19-10-22(28(30,31)32)14-23(11-19)29(33,34)35;1-3-5-6-7-8-9-15-28-19-22(18-26(27)29)24-17-21(13-14-25(24)28)20-11-10-12-23(16-20)30-4-2;1-2-3-4-5-6-7-13-27-17-20(16-24(26)28)22-15-19(11-12-23(22)27)18-9-8-10-21(25)14-18/h7-9,11-18,20,22H,2-6,10,19,21H2,1H3,(H2,31,33);4-12,14,16H,13,15H2,1-3H3,(H2,36,38);10-14,16-17,19H,3-9,15,18H2,1-2H3,(H2,27,29);8-12,14-15,17H,2-7,13,16H2,1H3,(H2,26,28)
InChIKeyIUYOGZAJYSXSMR-UHFFFAOYSA-N
XLogP27.14
TPSA210.54 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds39
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001774.22
LogP ≤ 527.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-(3-ethoxyphenyl)-1-octyl-1H-indol-3-yl)acetamide
CID 11852596
2-[1-Benzyl-5-(3-ethoxyphenyl)indol-3-yl]acetamide
CID 44439239
2-[5-(3-Ethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
CID 44439240
2-[5-(3-Ethoxyphenyl)-1-(naphthalen-2-ylmethyl)indol-3-yl]acetamide
CID 44439241
2-[1-Benzyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide
CID 44439271
2-[1-[(4-Tert-butylphenyl)methyl]-5-(3-ethoxyphenyl)indol-3-yl]acetamide
CID 11852499
2-[5-(3-Ethoxyphenyl)-1-(3-phenoxypropyl)indol-3-yl]acetamide
CID 44439242
2-[5-[3,5-Bis(trifluoromethyl)phenyl]-1-(3-phenoxypropyl)indol-3-yl]acetamide
CID 44439266
2-[5-(4-Phenoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetamide
CID 44439272
2-[1-(Naphthalen-2-ylmethyl)-5-(4-phenoxyphenyl)indol-3-yl]acetamide
CID 44439273
2-[5-(4-Phenoxyphenyl)-1-(3-phenoxypropyl)indol-3-yl]acetamide
CID 44439274
5-fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one
CID 155808302

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide?
The IUPAC name of 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide (CID 158813335) is 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide.
What is the SMILES notation for 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide?
The canonical SMILES for 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide is CC(C)(C)c1ccc(Cn2cc(CC(N)=O)c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc1.CCCCCCCCn1cc(CC(N)=O)c2cc(-c3ccc(Oc4ccccc4)cc3)ccc21.CCCCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(F)c3)ccc21.CCCCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(OCC)c3)ccc21.
What is the InChIKey of 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide?
The InChIKey is IUYOGZAJYSXSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2.C29H26F6N2O.C26H34N2O2.C24H29FN2O/c1-2-3-4-5-6-10-19-32-22-25(21-30(31)33)28-20-24(15-18-29(28)32)23-13-16-27(17-14-23)34-26-11-8-7-9-12-26;1-27(2,3)21-7-4-17(5-8-21)15-37-16-20(13-26(36)38)24-12-18(6-9-25(24)37)19-10-22(28(30,31)32)14-23(11-19)29(33,34)35;1-3-5-6-7-8-9-15-28-19-22(18-26(27)29)24-17-21(13-14-25(24)28)20-11-10-12-23(16-20)30-4-2;1-2-3-4-5-6-7-13-27-17-20(16-24(26)28)22-15-19(11-12-23(22)27)18-9-8-10-21(25)14-18/h7-9,11-18,20,22H,2-6,10,19,21H2,1H3,(H2,31,33);4-12,14,16H,13,15H2,1-3H3,(H2,36,38);10-14,16-17,19H,3-9,15,18H2,1-2H3,(H2,27,29);8-12,14-15,17H,2-7,13,16H2,1H3,(H2,26,28).
What are the key properties of 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide?
2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide has a molecular weight of 1774.22 g/mol, XLogP of 27.14, 39 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-tert-butylphenyl)methyl]indol-3-yl]acetamide;2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide;2-[5-(3-fluorophenyl)-1-octylindol-3-yl]acetamide;2-[1-octyl-5-(4-phenoxyphenyl)indol-3-yl]acetamide is sourced from PubChem (CID 158813335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).