4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide

C23H27FN4O3 — CID 21428983

About 4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide

4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide (PubChem CID 21428983) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
• PubChem CID: 21428983
• Molecular Formula: C23H27FN4O3
• Molecular Weight: 426.49 g/mol
• Exact Mass: 426.21
• IUPAC Name: 4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
• SMILES: COc1cc(F)ccc1C(=O)NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
• InChI: InChI=1S/C23H27FN4O3/c1-31-20-15-17(24)7-8-19(20)21(29)25-11-14-27-12-9-23(10-13-27)22(30)26-16-28(23)18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3,(H,25,29)(H,26,30)
• InChIKey: KOJDHBVHTFKGDN-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.49
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide?

The IUPAC name of 4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide (CID 21428983) is 4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide.

What is the SMILES notation for 4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide?

The canonical SMILES for 4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide is COc1cc(F)ccc1C(=O)NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1.

What is the InChIKey of 4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide?

The InChIKey is KOJDHBVHTFKGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-31-20-15-17(24)7-8-19(20)21(29)25-11-14-27-12-9-23(10-13-27)22(30)26-16-28(23)18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3,(H,25,29)(H,26,30).

What are the key properties of 4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide?

4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide has a molecular weight of 426.49 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide is sourced from PubChem (CID 21428983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).