2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate

C116H112F11N15O17 — CID 157420704

About 2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate

2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate (PubChem CID 157420704) has the molecular formula C116H112F11N15O17 and a molecular weight of 2197.24 g/mol. Its IUPAC name is 2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
• PubChem CID: 157420704
• Molecular Formula: C116H112F11N15O17
• Molecular Weight: 2197.24 g/mol
• Exact Mass: 2195.82
• IUPAC Name: 2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
• SMILES: CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)cc1.CCCn1c(-c2ccc(NC(=O)OC(C)C)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NC(=O)OCCOC)cc2)c(C#N)c2ccc(OC(F)F)cc21.COCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)cc1
• InChI: InChI=1S/C24H23F2N3O4.C24H23F2N3O3.C23H23F2N3O4.C23H23F2N3O3.C22H20F3N3O3/c1-31-11-12-32-24(30)28-16-7-5-15(6-8-16)22-20(14-27)19-10-9-18(33-23(25)26)13-21(19)29(22)17-3-2-4-17;1-14(2)31-24(30)28-16-8-6-15(7-9-16)22-20(13-27)19-11-10-18(32-23(25)26)12-21(19)29(22)17-4-3-5-17;1-3-10-28-20-13-17(32-22(24)25)8-9-18(20)19(14-26)21(28)15-4-6-16(7-5-15)27-23(29)31-12-11-30-2;1-4-11-28-20-12-17(31-22(24)25)9-10-18(20)19(13-26)21(28)15-5-7-16(8-6-15)27-23(29)30-14(2)3;1-2-10-28-19-12-16(31-21(24)25)7-8-17(19)18(13-26)20(28)14-3-5-15(6-4-14)27-22(29)30-11-9-23/h5-10,13,17,23H,2-4,11-12H2,1H3,(H,28,30);6-12,14,17,23H,3-5H2,1-2H3,(H,28,30);4-9,13,22H,3,10-12H2,1-2H3,(H,27,29);5-10,12,14,22H,4,11H2,1-3H3,(H,27,29);3-8,12,21H,2,9-11H2,1H3,(H,27,29)
• InChIKey: BPJFLIRNKNQXMY-UHFFFAOYSA-N
• XLogP: 29.41
• TPSA: 399.86 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 38
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2197.24
LogP ≤ 5	29.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate?

The IUPAC name of 2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate (CID 157420704) is 2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate.

What is the SMILES notation for 2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate?

The canonical SMILES for 2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)cc1.CCCn1c(-c2ccc(NC(=O)OC(C)C)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCCn1c(-c2ccc(NC(=O)OCCOC)cc2)c(C#N)c2ccc(OC(F)F)cc21.COCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)cc1.

What is the InChIKey of 2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate?

The InChIKey is BPJFLIRNKNQXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O4.C24H23F2N3O3.C23H23F2N3O4.C23H23F2N3O3.C22H20F3N3O3/c1-31-11-12-32-24(30)28-16-7-5-15(6-8-16)22-20(14-27)19-10-9-18(33-23(25)26)13-21(19)29(22)17-3-2-4-17;1-14(2)31-24(30)28-16-8-6-15(7-9-16)22-20(13-27)19-11-10-18(32-23(25)26)12-21(19)29(22)17-4-3-5-17;1-3-10-28-20-13-17(32-22(24)25)8-9-18(20)19(14-26)21(28)15-4-6-16(7-5-15)27-23(29)31-12-11-30-2;1-4-11-28-20-12-17(31-22(24)25)9-10-18(20)19(13-26)21(28)15-5-7-16(8-6-15)27-23(29)30-14(2)3;1-2-10-28-19-12-16(31-21(24)25)7-8-17(19)18(13-26)20(28)14-3-5-15(6-4-14)27-22(29)30-11-9-23/h5-10,13,17,23H,2-4,11-12H2,1H3,(H,28,30);6-12,14,17,23H,3-5H2,1-2H3,(H,28,30);4-9,13,22H,3,10-12H2,1-2H3,(H,27,29);5-10,12,14,22H,4,11H2,1-3H3,(H,27,29);3-8,12,21H,2,9-11H2,1H3,(H,27,29).

What are the key properties of 2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate?

2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate has a molecular weight of 2197.24 g/mol, XLogP of 29.41, 38 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157420704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).