8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H22ClFN2O3 — CID 72936935

About 8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72936935) has the molecular formula C18H22ClFN2O3 and a molecular weight of 368.84 g/mol. Its IUPAC name is 8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: 8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 72936935
• Molecular Formula: C18H22ClFN2O3
• Molecular Weight: 368.84 g/mol
• Exact Mass: 368.13
• IUPAC Name: 8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: Cc1ccc(Cl)c(CN2CCC3(CC2)C(C(=O)O)CC(=O)N3C)c1F
• InChI: InChI=1S/C18H22ClFN2O3/c1-11-3-4-14(19)12(16(11)20)10-22-7-5-18(6-8-22)13(17(24)25)9-15(23)21(18)2/h3-4,13H,5-10H2,1-2H3,(H,24,25)
• InChIKey: BXZXNVHBVWMARS-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 60.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.84
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The IUPAC name of 8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72936935) is 8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

What is the SMILES notation for 8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The canonical SMILES for 8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1ccc(Cl)c(CN2CCC3(CC2)C(C(=O)O)CC(=O)N3C)c1F.

What is the InChIKey of 8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The InChIKey is BXZXNVHBVWMARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2O3/c1-11-3-4-14(19)12(16(11)20)10-22-7-5-18(6-8-22)13(17(24)25)9-15(23)21(18)2/h3-4,13H,5-10H2,1-2H3,(H,24,25).

What are the key properties of 8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 368.84 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72936935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).