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

C19H17FN2O2 — CID 18577995

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

2-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide (PubChem CID 18577995) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
• PubChem CID: 18577995
• Molecular Formula: C19H17FN2O2
• Molecular Weight: 324.36 g/mol
• Exact Mass: 324.13
• IUPAC Name: 2-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
• SMILES: CC1C(=O)N2CCCc3cc(NC(=O)c4ccccc4F)cc1c32
• InChI: InChI=1S/C19H17FN2O2/c1-11-15-10-13(21-18(23)14-6-2-3-7-16(14)20)9-12-5-4-8-22(17(12)15)19(11)24/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,21,23)
• InChIKey: SFPKBAJTXSWTJP-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.36
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide (CID 18577995) is 2-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide.

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

The canonical SMILES for 2-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide is CC1C(=O)N2CCCc3cc(NC(=O)c4ccccc4F)cc1c32.

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

The InChIKey is SFPKBAJTXSWTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-11-15-10-13(21-18(23)14-6-2-3-7-16(14)20)9-12-5-4-8-22(17(12)15)19(11)24/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,21,23).

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

2-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide has a molecular weight of 324.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide is sourced from PubChem (CID 18577995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).