3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

C21H24FN3O2 — CID 85006777

About 3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (PubChem CID 85006777) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

Molecular Properties

• Compound Name: 3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• PubChem CID: 85006777
• Molecular Formula: C21H24FN3O2
• Molecular Weight: 369.44 g/mol
• Exact Mass: 369.19
• IUPAC Name: 3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• SMILES: CC(C)NC(=O)N1CC2CC(C1)c1c(-c3ccccc3F)ccc(=O)n1C2
• InChI: InChI=1S/C21H24FN3O2/c1-13(2)23-21(27)24-10-14-9-15(12-24)20-17(7-8-19(26)25(20)11-14)16-5-3-4-6-18(16)22/h3-8,13-15H,9-12H2,1-2H3,(H,23,27)
• InChIKey: LKNZZMDIMRFFNY-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.44
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The IUPAC name of 3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (CID 85006777) is 3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

What is the SMILES notation for 3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The canonical SMILES for 3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is CC(C)NC(=O)N1CC2CC(C1)c1c(-c3ccccc3F)ccc(=O)n1C2.

What is the InChIKey of 3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The InChIKey is LKNZZMDIMRFFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-13(2)23-21(27)24-10-14-9-15(12-24)20-17(7-8-19(26)25(20)11-14)16-5-3-4-6-18(16)22/h3-8,13-15H,9-12H2,1-2H3,(H,23,27).

What are the key properties of 3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-fluorophenyl)-6-oxo-N-propan-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is sourced from PubChem (CID 85006777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).