(1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

C23H21FN4O4 — CID 9424567

About (1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

(1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (PubChem CID 9424567) has the molecular formula C23H21FN4O4 and a molecular weight of 436.44 g/mol. Its IUPAC name is (1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

Molecular Properties

• Compound Name: (1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• PubChem CID: 9424567
• Molecular Formula: C23H21FN4O4
• Molecular Weight: 436.44 g/mol
• Exact Mass: 436.15
• IUPAC Name: (1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• SMILES: O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)Nc3ccc(F)cc3)C1)C2)c1ccco1
• InChI: InChI=1S/C23H21FN4O4/c24-16-3-5-17(6-4-16)25-23(31)27-11-14-10-15(13-27)21-18(7-8-20(29)28(21)12-14)26-22(30)19-2-1-9-32-19/h1-9,14-15H,10-13H2,(H,25,31)(H,26,30)/t14-,15+/m0/s1
• InChIKey: FKXHWJFRYUZOKK-LSDHHAIUSA-N
• XLogP: 3.48
• TPSA: 96.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.44
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The IUPAC name of (1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (CID 9424567) is (1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

What is the SMILES notation for (1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The canonical SMILES for (1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)Nc3ccc(F)cc3)C1)C2)c1ccco1.

What is the InChIKey of (1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The InChIKey is FKXHWJFRYUZOKK-LSDHHAIUSA-N. The full InChI is InChI=1S/C23H21FN4O4/c24-16-3-5-17(6-4-16)25-23(31)27-11-14-10-15(13-27)21-18(7-8-20(29)28(21)12-14)26-22(30)19-2-1-9-32-19/h1-9,14-15H,10-13H2,(H,25,31)(H,26,30)/t14-,15+/m0/s1.

What are the key properties of (1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

(1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide has a molecular weight of 436.44 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,9R)-N-(4-fluorophenyl)-3-(furan-2-carbonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is sourced from PubChem (CID 9424567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).