N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide

C26H24FN3O4 — CID 73135154

About N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide

N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide (PubChem CID 73135154) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide
• PubChem CID: 73135154
• Molecular Formula: C26H24FN3O4
• Molecular Weight: 461.49 g/mol
• Exact Mass: 461.18
• IUPAC Name: N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide
• SMILES: O=C(COc1ccccc1)Nc1ccc2n(c1=O)CC1CC2CN(C(=O)c2ccc(F)cc2)C1
• InChI: InChI=1S/C26H24FN3O4/c27-20-8-6-18(7-9-20)25(32)29-13-17-12-19(15-29)23-11-10-22(26(33)30(23)14-17)28-24(31)16-34-21-4-2-1-3-5-21/h1-11,17,19H,12-16H2,(H,28,31)
• InChIKey: LFAYLMSWFMWOKP-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 80.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.49
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide?

The IUPAC name of N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide (CID 73135154) is N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide.

What is the SMILES notation for N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide?

The canonical SMILES for N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc2n(c1=O)CC1CC2CN(C(=O)c2ccc(F)cc2)C1.

What is the InChIKey of N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide?

The InChIKey is LFAYLMSWFMWOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c27-20-8-6-18(7-9-20)25(32)29-13-17-12-19(15-29)23-11-10-22(26(33)30(23)14-17)28-24(31)16-34-21-4-2-1-3-5-21/h1-11,17,19H,12-16H2,(H,28,31).

What are the key properties of N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide?

N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide has a molecular weight of 461.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[11-(4-fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-phenoxyacetamide is sourced from PubChem (CID 73135154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).