N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide

C20H17F3N2O2 — CID 7526568

About N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide

N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide (PubChem CID 7526568) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 7526568
• Molecular Formula: C20H17F3N2O2
• Molecular Weight: 374.36 g/mol
• Exact Mass: 374.12
• IUPAC Name: N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide
• SMILES: C[C@H]1C(=O)N2CCCc3cc(NC(=O)c4cccc(C(F)(F)F)c4)cc1c32
• InChI: InChI=1S/C20H17F3N2O2/c1-11-16-10-15(9-12-5-3-7-25(17(12)16)19(11)27)24-18(26)13-4-2-6-14(8-13)20(21,22)23/h2,4,6,8-11H,3,5,7H2,1H3,(H,24,26)/t11-/m1/s1
• InChIKey: AUZBSDPCEMKFHA-LLVKDONJSA-N
• XLogP: 4.35
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.36
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide (CID 7526568) is N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide is C[C@H]1C(=O)N2CCCc3cc(NC(=O)c4cccc(C(F)(F)F)c4)cc1c32.

What is the InChIKey of N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is AUZBSDPCEMKFHA-LLVKDONJSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-11-16-10-15(9-12-5-3-7-25(17(12)16)19(11)27)24-18(26)13-4-2-6-14(8-13)20(21,22)23/h2,4,6,8-11H,3,5,7H2,1H3,(H,24,26)/t11-/m1/s1.

What are the key properties of N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide?

N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 374.36 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 7526568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).