1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea

C24H30FN3O — CID 50903492

About 1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea

1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 50903492) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

• Compound Name: 1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea
• PubChem CID: 50903492
• Molecular Formula: C24H30FN3O
• Molecular Weight: 395.52 g/mol
• Exact Mass: 395.24
• IUPAC Name: 1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea
• SMILES: CC(C)c1ccc(NC(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc(F)cc2)cc1
• InChI: InChI=1S/C24H30FN3O/c1-16(2)18-5-9-20(10-6-18)26-24(29)27-21-13-22-11-12-23(14-21)28(22)15-17-3-7-19(25)8-4-17/h3-10,16,21-23H,11-15H2,1-2H3,(H2,26,27,29)/t22-,23-/m1/s1
• InChIKey: WLFGSYZJMVUJOD-DHIUTWEWSA-N
• XLogP: 5.27
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.52
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea?

The IUPAC name of 1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea (CID 50903492) is 1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea.

What is the SMILES notation for 1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea?

The canonical SMILES for 1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc(F)cc2)cc1.

What is the InChIKey of 1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea?

The InChIKey is WLFGSYZJMVUJOD-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-16(2)18-5-9-20(10-6-18)26-24(29)27-21-13-22-11-12-23(14-21)28(22)15-17-3-7-19(25)8-4-17/h3-10,16,21-23H,11-15H2,1-2H3,(H2,26,27,29)/t22-,23-/m1/s1.

What are the key properties of 1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea?

1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 395.52 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R,5R)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 50903492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).