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

C25H24F2N4O2 — CID 85006902

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

N-(4-fluorophenyl)-3-[(4-fluorophenyl)methylamino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (PubChem CID 85006902) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[(4-fluorophenyl)methylamino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-3-[(4-fluorophenyl)methylamino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• PubChem CID: 85006902
• Molecular Formula: C25H24F2N4O2
• Molecular Weight: 450.49 g/mol
• Exact Mass: 450.19
• IUPAC Name: N-(4-fluorophenyl)-3-[(4-fluorophenyl)methylamino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• SMILES: O=C(Nc1ccc(F)cc1)N1CC2CC(C1)c1c(NCc3ccc(F)cc3)ccc(=O)n1C2
• InChI: InChI=1S/C25H24F2N4O2/c26-19-3-1-16(2-4-19)12-28-22-9-10-23(32)31-14-17-11-18(24(22)31)15-30(13-17)25(33)29-21-7-5-20(27)6-8-21/h1-10,17-18,28H,11-15H2,(H,29,33)
• InChIKey: XNILEMZNEDSVEF-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 66.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.49
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(4-fluorophenyl)-3-[(4-fluorophenyl)methylamino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (CID 85006902) is N-(4-fluorophenyl)-3-[(4-fluorophenyl)methylamino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

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

The canonical SMILES for N-(4-fluorophenyl)-3-[(4-fluorophenyl)methylamino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is O=C(Nc1ccc(F)cc1)N1CC2CC(C1)c1c(NCc3ccc(F)cc3)ccc(=O)n1C2.

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

The InChIKey is XNILEMZNEDSVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c26-19-3-1-16(2-4-19)12-28-22-9-10-23(32)31-14-17-11-18(24(22)31)15-30(13-17)25(33)29-21-7-5-20(27)6-8-21/h1-10,17-18,28H,11-15H2,(H,29,33).

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

N-(4-fluorophenyl)-3-[(4-fluorophenyl)methylamino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide has a molecular weight of 450.49 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-3-[(4-fluorophenyl)methylamino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is sourced from PubChem (CID 85006902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).