(2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide

C32H34F4N4O2 — CID 10167165

About (2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide

(2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 10167165) has the molecular formula C32H34F4N4O2 and a molecular weight of 582.64 g/mol. Its IUPAC name is (2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
• PubChem CID: 10167165
• Molecular Formula: C32H34F4N4O2
• Molecular Weight: 582.64 g/mol
• Exact Mass: 582.26
• IUPAC Name: (2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
• SMILES: O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CCCN1C(=O)NC1CC2CCC(C1)N2Cc1ccc2cc(F)ccc2c1
• InChI: InChI=1S/C32H34F4N4O2/c33-24-10-9-21-14-20(7-8-22(21)15-24)19-40-26-11-12-27(40)17-25(16-26)38-31(42)39-13-3-6-29(39)30(41)37-18-23-4-1-2-5-28(23)32(34,35)36/h1-2,4-5,7-10,14-15,25-27,29H,3,6,11-13,16-19H2,(H,37,41)(H,38,42)/t25?,26?,27?,29-/m0/s1
• InChIKey: QYSIMFZFYJHHEG-PQVBAYDNSA-N
• XLogP: 5.98
• TPSA: 64.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.64
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide?

The IUPAC name of (2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide (CID 10167165) is (2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide.

What is the SMILES notation for (2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide?

The canonical SMILES for (2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide is O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CCCN1C(=O)NC1CC2CCC(C1)N2Cc1ccc2cc(F)ccc2c1.

What is the InChIKey of (2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide?

The InChIKey is QYSIMFZFYJHHEG-PQVBAYDNSA-N. The full InChI is InChI=1S/C32H34F4N4O2/c33-24-10-9-21-14-20(7-8-22(21)15-24)19-40-26-11-12-27(40)17-25(16-26)38-31(42)39-13-3-6-29(39)30(41)37-18-23-4-1-2-5-28(23)32(34,35)36/h1-2,4-5,7-10,14-15,25-27,29H,3,6,11-13,16-19H2,(H,37,41)(H,38,42)/t25?,26?,27?,29-/m0/s1.

What are the key properties of (2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide?

(2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 582.64 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-N-[8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 10167165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).