1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate

C157H164F10N6O11 — CID 159063433

About 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate

1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate (PubChem CID 159063433) has the molecular formula C157H164F10N6O11 and a molecular weight of 2501.05 g/mol. Its IUPAC name is 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate.

Molecular Properties

• Compound Name: 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate
• PubChem CID: 159063433
• Molecular Formula: C157H164F10N6O11
• Molecular Weight: 2501.05 g/mol
• Exact Mass: 2499.23
• IUPAC Name: 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate
• SMILES: CC(C)COC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(OC3CCCO3)cc2n1Cc1ccccn1.CCCCCc1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CCCCOC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CCCCc1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1
• InChI: InChI=1S/2C32H33F2NO3.C32H35F2NO.C31H33F2NO.C30H30F2N2O3/c1-20(2)19-38-32(37)24-12-13-25-28(17-24)35(18-23-8-6-5-7-9-23)31(21(3)4)30(25)29(36)15-11-22-10-14-26(33)27(34)16-22;1-4-5-17-38-32(37)24-13-14-25-28(19-24)35(20-23-9-7-6-8-10-23)31(21(2)3)30(25)29(36)16-12-22-11-15-26(33)27(34)18-22;1-4-5-7-10-23-13-16-26-29(20-23)35(21-25-11-8-6-9-12-25)32(22(2)3)31(26)30(36)18-15-24-14-17-27(33)28(34)19-24;1-4-5-9-22-12-15-25-28(19-22)34(20-24-10-7-6-8-11-24)31(21(2)3)30(25)29(35)17-14-23-13-16-26(32)27(33)18-23;1-19(2)30-29(27(35)13-9-20-8-12-24(31)25(32)16-20)23-11-10-22(37-28-7-5-15-36-28)17-26(23)34(30)18-21-6-3-4-14-33-21/h5-10,12-14,16-17,20-21H,11,15,18-19H2,1-4H3;6-11,13-15,18-19,21H,4-5,12,16-17,20H2,1-3H3;6,8-9,11-14,16-17,19-20,22H,4-5,7,10,15,18,21H2,1-3H3;6-8,10-13,15-16,18-19,21H,4-5,9,14,17,20H2,1-3H3;3-4,6,8,10-12,14,16-17,19,28H,5,7,9,13,15,18H2,1-2H3
• InChIKey: JYTIRSXVTXSGLB-UHFFFAOYSA-N
• XLogP: 39.29
• TPSA: 193.95 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 51
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2501.05
LogP ≤ 5	39.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate?

The IUPAC name of 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate (CID 159063433) is 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate.

What is the SMILES notation for 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate?

The canonical SMILES for 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate is CC(C)COC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(OC3CCCO3)cc2n1Cc1ccccn1.CCCCCc1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CCCCOC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CCCCc1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.

What is the InChIKey of 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate?

The InChIKey is JYTIRSXVTXSGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H33F2NO3.C32H35F2NO.C31H33F2NO.C30H30F2N2O3/c1-20(2)19-38-32(37)24-12-13-25-28(17-24)35(18-23-8-6-5-7-9-23)31(21(3)4)30(25)29(36)15-11-22-10-14-26(33)27(34)16-22;1-4-5-17-38-32(37)24-13-14-25-28(19-24)35(20-23-9-7-6-8-10-23)31(21(2)3)30(25)29(36)16-12-22-11-15-26(33)27(34)18-22;1-4-5-7-10-23-13-16-26-29(20-23)35(21-25-11-8-6-9-12-25)32(22(2)3)31(26)30(36)18-15-24-14-17-27(33)28(34)19-24;1-4-5-9-22-12-15-25-28(19-22)34(20-24-10-7-6-8-11-24)31(21(2)3)30(25)29(35)17-14-23-13-16-26(32)27(33)18-23;1-19(2)30-29(27(35)13-9-20-8-12-24(31)25(32)16-20)23-11-10-22(37-28-7-5-15-36-28)17-26(23)34(30)18-21-6-3-4-14-33-21/h5-10,12-14,16-17,20-21H,11,15,18-19H2,1-4H3;6-11,13-15,18-19,21H,4-5,12,16-17,20H2,1-3H3;6,8-9,11-14,16-17,19-20,22H,4-5,7,10,15,18,21H2,1-3H3;6-8,10-13,15-16,18-19,21H,4-5,9,14,17,20H2,1-3H3;3-4,6,8,10-12,14,16-17,19,28H,5,7,9,13,15,18H2,1-2H3.

What are the key properties of 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate?

1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate has a molecular weight of 2501.05 g/mol, XLogP of 39.29, 51 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-(1-benzyl-6-pentyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;butyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate;3-(3,4-difluorophenyl)-1-[6-(oxolan-2-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indol-3-yl]propan-1-one;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate is sourced from PubChem (CID 159063433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).