1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea

C132H130F9N21O12 — CID 159471937

About 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea

1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea (PubChem CID 159471937) has the molecular formula C132H130F9N21O12 and a molecular weight of 2373.61 g/mol. Its IUPAC name is 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea.

Molecular Properties

• Compound Name: 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea
• PubChem CID: 159471937
• Molecular Formula: C132H130F9N21O12
• Molecular Weight: 2373.61 g/mol
• Exact Mass: 2372.01
• IUPAC Name: 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea
• SMILES: CCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)C4CC4)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)CC)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(C)=O)cc3)n(CC)c2c1
• InChI: InChI=1S/C23H23F3N4O2.C23H23N3O2.C22H21F3N4O2.C22H23N3O2.C21H19F3N4O2.C21H21N3O2/c1-3-5-12-28-22(31)29-16-8-6-15(7-9-16)21-19(14-27)18-11-10-17(32-23(24,25)26)13-20(18)30(21)4-2;1-3-26-21-13-18(28-4-2)11-12-19(21)20(14-24)22(26)15-7-9-17(10-8-15)25-23(27)16-5-6-16;1-3-11-27-21(30)28-15-7-5-14(6-8-15)20-18(13-26)17-10-9-16(31-22(23,24)25)12-19(17)29(20)4-2;1-4-21(26)24-16-9-7-15(8-10-16)22-19(14-23)18-12-11-17(27-6-3)13-20(18)25(22)5-2;1-3-26-20(29)27-14-7-5-13(6-8-14)19-17(12-25)16-10-9-15(30-21(22,23)24)11-18(16)28(19)4-2;1-4-24-20-12-17(26-5-2)10-11-18(20)19(13-22)21(24)15-6-8-16(9-7-15)23-14(3)25/h6-11,13H,3-5,12H2,1-2H3,(H2,28,29,31);7-13,16H,3-6H2,1-2H3,(H,25,27);5-10,12H,3-4,11H2,1-2H3,(H2,27,28,30);7-13H,4-6H2,1-3H3,(H,24,26);5-11H,3-4H2,1-2H3,(H2,26,27,29);6-12H,4-5H2,1-3H3,(H,23,25)
• InChIKey: LVXKEXIVCDHGTI-UHFFFAOYSA-N
• XLogP: 31.34
• TPSA: 438.39 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 35
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2373.61
LogP ≤ 5	31.34
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea?

The IUPAC name of 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea (CID 159471937) is 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea.

What is the SMILES notation for 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea?

The canonical SMILES for 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea is CCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)C4CC4)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)CC)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(C)=O)cc3)n(CC)c2c1.

What is the InChIKey of 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea?

The InChIKey is LVXKEXIVCDHGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2.C23H23N3O2.C22H21F3N4O2.C22H23N3O2.C21H19F3N4O2.C21H21N3O2/c1-3-5-12-28-22(31)29-16-8-6-15(7-9-16)21-19(14-27)18-11-10-17(32-23(24,25)26)13-20(18)30(21)4-2;1-3-26-21-13-18(28-4-2)11-12-19(21)20(14-24)22(26)15-7-9-17(10-8-15)25-23(27)16-5-6-16;1-3-11-27-21(30)28-15-7-5-14(6-8-15)20-18(13-26)17-10-9-16(31-22(23,24)25)12-19(17)29(20)4-2;1-4-21(26)24-16-9-7-15(8-10-16)22-19(14-23)18-12-11-17(27-6-3)13-20(18)25(22)5-2;1-3-26-20(29)27-14-7-5-13(6-8-14)19-17(12-25)16-10-9-15(30-21(22,23)24)11-18(16)28(19)4-2;1-4-24-20-12-17(26-5-2)10-11-18(20)19(13-22)21(24)15-6-8-16(9-7-15)23-14(3)25/h6-11,13H,3-5,12H2,1-2H3,(H2,28,29,31);7-13,16H,3-6H2,1-2H3,(H,25,27);5-10,12H,3-4,11H2,1-2H3,(H2,27,28,30);7-13H,4-6H2,1-3H3,(H,24,26);5-11H,3-4H2,1-2H3,(H2,26,27,29);6-12H,4-5H2,1-3H3,(H,23,25).

What are the key properties of 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea?

1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea has a molecular weight of 2373.61 g/mol, XLogP of 31.34, 35 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-3-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]urea;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]propanamide;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-propylurea is sourced from PubChem (CID 159471937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).