2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C20H20F3N3O2 — CID 98201809

About 2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 98201809) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 98201809
• Molecular Formula: C20H20F3N3O2
• Molecular Weight: 391.39 g/mol
• Exact Mass: 391.15
• IUPAC Name: 2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
• SMILES: O=C(CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C20H20F3N3O2/c21-20(22,23)15-4-6-16(7-5-15)24-18(27)12-25-9-13-8-14(11-25)17-2-1-3-19(28)26(17)10-13/h1-7,13-14H,8-12H2,(H,24,27)/t13-,14-/m1/s1
• InChIKey: MCHFBOWIQTZUNS-ZIAGYGMSSA-N
• XLogP: 2.92
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.39
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 98201809) is 2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

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

The canonical SMILES for 2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc(C(F)(F)F)cc1.

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

The InChIKey is MCHFBOWIQTZUNS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)15-4-6-16(7-5-15)24-18(27)12-25-9-13-8-14(11-25)17-2-1-3-19(28)26(17)10-13/h1-7,13-14H,8-12H2,(H,24,27)/t13-,14-/m1/s1.

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

2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 391.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 98201809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).