N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide

C24H32ClFN4O4 — CID 55710026

About N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide

N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide (PubChem CID 55710026) has the molecular formula C24H32ClFN4O4 and a molecular weight of 495.00 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide.

Molecular Properties

• Compound Name: N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
• PubChem CID: 55710026
• Molecular Formula: C24H32ClFN4O4
• Molecular Weight: 495.00 g/mol
• Exact Mass: 494.21
• IUPAC Name: N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
• SMILES: CC1CN(C(CNC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c2c(F)cccc2Cl)CCO1
• InChI: InChI=1S/C24H32ClFN4O4/c1-16-15-29(12-13-34-16)19(21-17(25)6-4-7-18(21)26)14-27-20(31)8-5-11-30-22(32)24(28-23(30)33)9-2-3-10-24/h4,6-7,16,19H,2-3,5,8-15H2,1H3,(H,27,31)(H,28,33)
• InChIKey: ATXLUBNUURIVRD-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.00
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?

The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide (CID 55710026) is N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide.

What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?

The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide is CC1CN(C(CNC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c2c(F)cccc2Cl)CCO1.

What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?

The InChIKey is ATXLUBNUURIVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClFN4O4/c1-16-15-29(12-13-34-16)19(21-17(25)6-4-7-18(21)26)14-27-20(31)8-5-11-30-22(32)24(28-23(30)33)9-2-3-10-24/h4,6-7,16,19H,2-3,5,8-15H2,1H3,(H,27,31)(H,28,33).

What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide?

N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide has a molecular weight of 495.00 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide is sourced from PubChem (CID 55710026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).