1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide

C30H32F2N2O2 — CID 25059746

About 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide

1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide (PubChem CID 25059746) has the molecular formula C30H32F2N2O2 and a molecular weight of 490.59 g/mol. Its IUPAC name is 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide
• PubChem CID: 25059746
• Molecular Formula: C30H32F2N2O2
• Molecular Weight: 490.59 g/mol
• Exact Mass: 490.24
• IUPAC Name: 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide
• SMILES: CC(C)COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1
• InChI: InChI=1S/C30H32F2N2O2/c1-19(2)18-36-23-11-12-24-27(15-23)34(17-21-8-6-5-7-9-21)29(20(3)4)28(24)30(35)33-16-22-10-13-25(31)26(32)14-22/h5-15,19-20H,16-18H2,1-4H3,(H,33,35)
• InChIKey: FSYKYZHUYGSKDF-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 43.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.59
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide?

The IUPAC name of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide (CID 25059746) is 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide.

What is the SMILES notation for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide?

The canonical SMILES for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide is CC(C)COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.

What is the InChIKey of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide?

The InChIKey is FSYKYZHUYGSKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N2O2/c1-19(2)18-36-23-11-12-24-27(15-23)34(17-21-8-6-5-7-9-21)29(20(3)4)28(24)30(35)33-16-22-10-13-25(31)26(32)14-22/h5-15,19-20H,16-18H2,1-4H3,(H,33,35).

What are the key properties of 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide?

1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 7.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(2-methylpropoxy)-2-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 25059746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).