1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-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;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate

C159H169F10N5O9 — CID 159045490

About 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-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;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-(3-methylbutyl)-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;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate (PubChem CID 159045490) has the molecular formula C159H169F10N5O9 and a molecular weight of 2484.11 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-(3-methylbutyl)-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;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-(3-methylbutyl)-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;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate
• PubChem CID: 159045490
• Molecular Formula: C159H169F10N5O9
• Molecular Weight: 2484.11 g/mol
• Exact Mass: 2482.28
• IUPAC Name: 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-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;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate
• SMILES: CC(C)CCc1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)COC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.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/2C32H33F2NO3.2C32H35F2NO.C31H33F2NO/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;1-21(2)10-11-24-12-15-26-29(19-24)35(20-25-8-6-5-7-9-25)32(22(3)4)31(26)30(36)17-14-23-13-16-27(33)28(34)18-23;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/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;5-9,12-13,15-16,18-19,21-22H,10-11,14,17,20H2,1-4H3;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
• InChIKey: JWPHDEYNLNDTMW-UHFFFAOYSA-N
• XLogP: 40.97
• TPSA: 162.60 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 52
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2484.11
LogP ≤ 5	40.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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-(3-methylbutyl)-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;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-(3-methylbutyl)-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;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate (CID 159045490) is 1-(1-benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-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;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-(3-methylbutyl)-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;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-(3-methylbutyl)-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;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate is CC(C)CCc1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)COC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.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-(3-methylbutyl)-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;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate?

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

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-(3-methylbutyl)-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;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-(3-methylbutyl)-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;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate has a molecular weight of 2484.11 g/mol, XLogP of 40.97, 52 rotatable bonds, 0 hydrogen bond donors, and 14 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-(3-methylbutyl)-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;2-methylpropyl 1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindole-6-carboxylate is sourced from PubChem (CID 159045490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).