N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide

C34H38ClN3O — CID 58968430

About N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide (PubChem CID 58968430) has the molecular formula C34H38ClN3O and a molecular weight of 540.15 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
• PubChem CID: 58968430
• Molecular Formula: C34H38ClN3O
• Molecular Weight: 540.15 g/mol
• Exact Mass: 539.27
• IUPAC Name: N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
• SMILES: O=C(NCc1ccccc1Cl)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12
• InChI: InChI=1S/C34H38ClN3O/c35-32-13-6-4-11-27(32)23-36-34(39)31-24-37(33-14-7-5-12-30(31)33)19-8-20-38-28-17-18-29(38)22-26(21-28)16-15-25-9-2-1-3-10-25/h1-7,9-14,24,26,28-29H,8,15-23H2,(H,36,39)
• InChIKey: RRJIFEDVRCPOHF-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 37.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.15
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide (CID 58968430) is N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide is O=C(NCc1ccccc1Cl)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2ccccc12.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide?

The InChIKey is RRJIFEDVRCPOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38ClN3O/c35-32-13-6-4-11-27(32)23-36-34(39)31-24-37(33-14-7-5-12-30(31)33)19-8-20-38-28-17-18-29(38)22-26(21-28)16-15-25-9-2-1-3-10-25/h1-7,9-14,24,26,28-29H,8,15-23H2,(H,36,39).

What are the key properties of N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide?

N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide has a molecular weight of 540.15 g/mol, XLogP of 7.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide is sourced from PubChem (CID 58968430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).