N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide

C20H20FN3O3 — CID 162808557

About N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide

N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide (PubChem CID 162808557) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide.

Molecular Properties

• Compound Name: N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide
• PubChem CID: 162808557
• Molecular Formula: C20H20FN3O3
• Molecular Weight: 369.40 g/mol
• Exact Mass: 369.15
• IUPAC Name: N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide
• SMILES: CC(=O)N1C[C@H]2C[C@H](C1)c1ccc(NC(=O)c3ccc(F)cc3)c(=O)n1C2
• InChI: InChI=1S/C20H20FN3O3/c1-12(25)23-9-13-8-15(11-23)18-7-6-17(20(27)24(18)10-13)22-19(26)14-2-4-16(21)5-3-14/h2-7,13,15H,8-11H2,1H3,(H,22,26)/t13-,15-/m1/s1
• InChIKey: SLPMKXZTAGSGPE-UKRRQHHQSA-N
• XLogP: 2.21
• TPSA: 71.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.40
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide?

The IUPAC name of N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide (CID 162808557) is N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide.

What is the SMILES notation for N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide?

The canonical SMILES for N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide is CC(=O)N1C[C@H]2C[C@H](C1)c1ccc(NC(=O)c3ccc(F)cc3)c(=O)n1C2.

What is the InChIKey of N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide?

The InChIKey is SLPMKXZTAGSGPE-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-12(25)23-9-13-8-15(11-23)18-7-6-17(20(27)24(18)10-13)22-19(26)14-2-4-16(21)5-3-14/h2-7,13,15H,8-11H2,1H3,(H,22,26)/t13-,15-/m1/s1.

What are the key properties of N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide?

N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide has a molecular weight of 369.40 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,9R)-11-acetyl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 162808557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).