2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C23H32Cl2F2N2O4 — CID 155634044

About 2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 155634044) has the molecular formula C23H32Cl2F2N2O4 and a molecular weight of 509.42 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
• PubChem CID: 155634044
• Molecular Formula: C23H32Cl2F2N2O4
• Molecular Weight: 509.42 g/mol
• Exact Mass: 508.17
• IUPAC Name: 2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
• SMILES: O=C(COC1CCC(Cl)C(F)C1)NC12CC(N3CCC(OC4CCC(Cl)C(F)C4)C3=O)(C1)C2
• InChI: InChI=1S/C23H32Cl2F2N2O4/c24-15-3-1-13(7-17(15)26)32-9-20(30)28-22-10-23(11-22,12-22)29-6-5-19(21(29)31)33-14-2-4-16(25)18(27)8-14/h13-19H,1-12H2,(H,28,30)
• InChIKey: RVEWOULPCZGYLV-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.42
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The IUPAC name of 2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 155634044) is 2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

What is the SMILES notation for 2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The canonical SMILES for 2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COC1CCC(Cl)C(F)C1)NC12CC(N3CCC(OC4CCC(Cl)C(F)C4)C3=O)(C1)C2.

What is the InChIKey of 2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

The InChIKey is RVEWOULPCZGYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32Cl2F2N2O4/c24-15-3-1-13(7-17(15)26)32-9-20(30)28-22-10-23(11-22,12-22)29-6-5-19(21(29)31)33-14-2-4-16(25)18(27)8-14/h13-19H,1-12H2,(H,28,30).

What are the key properties of 2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?

2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 509.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorocyclohexyl)oxy-N-[3-[3-(4-chloro-3-fluorocyclohexyl)oxy-2-oxopyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 155634044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).