N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide

C₂₃H₃₄Cl₃N₃O₃ — CID 155634054

About N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide

N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide (PubChem CID 155634054) has the molecular formula C₂₃H₃₄Cl₃N₃O₃ and a molecular weight of 506.90 g/mol. Its IUPAC name is N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide.

Molecular Properties

• Compound Name: N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide
• PubChem CID: 155634054
• Molecular Formula: C₂₃H₃₄Cl₃N₃O₃
• Molecular Weight: 506.90 g/mol
• Exact Mass: 505.17
• IUPAC Name: N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide
• SMILES: O=C(COC1CCC(Cl)C(Cl)C1)NC12CC(N3CCN(CC4CCC(Cl)CC4)C3=O)(C1)C2
• InChI: InChI=1S/C23H34Cl3N3O3/c24-16-3-1-15(2-4-16)10-28-7-8-29(21(28)31)23-12-22(13-23,14-23)27-20(30)11-32-17-5-6-18(25)19(26)9-17/h15-19H,1-14H2,(H,27,30)
• InChIKey: QFJFWFNXKIUUMP-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.90
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide?

The IUPAC name of N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide (CID 155634054) is N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide.

What is the SMILES notation for N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide?

The canonical SMILES for N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide is O=C(COC1CCC(Cl)C(Cl)C1)NC12CC(N3CCN(CC4CCC(Cl)CC4)C3=O)(C1)C2.

What is the InChIKey of N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide?

The InChIKey is QFJFWFNXKIUUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34Cl3N3O3/c24-16-3-1-15(2-4-16)10-28-7-8-29(21(28)31)23-12-22(13-23,14-23)27-20(30)11-32-17-5-6-18(25)19(26)9-17/h15-19H,1-14H2,(H,27,30).

What are the key properties of N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide?

N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide has a molecular weight of 506.90 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[(4-chlorocyclohexyl)methyl]-2-oxoimidazolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3,4-dichlorocyclohexyl)oxyacetamide is sourced from PubChem (CID 155634054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155634054 — identifiers, structure, computed properties (public domain)

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