1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide

C26H30Cl2N2O2 — CID 142490432

About 1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide

1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide (PubChem CID 142490432) has the molecular formula C26H30Cl2N2O2 and a molecular weight of 473.44 g/mol. Its IUPAC name is 1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide.

Molecular Properties

• Compound Name: 1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide
• PubChem CID: 142490432
• Molecular Formula: C26H30Cl2N2O2
• Molecular Weight: 473.44 g/mol
• Exact Mass: 472.17
• IUPAC Name: 1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide
• SMILES: C=CC1CC1c1ccc(Cl)cc1.CNC12CCC(NC(=O)COc3ccc(Cl)cc3)(C1)C2
• InChI: InChI=1S/C15H19ClN2O2.C11H11Cl/c1-17-14-6-7-15(9-14,10-14)18-13(19)8-20-12-4-2-11(16)3-5-12;1-2-8-7-11(8)9-3-5-10(12)6-4-9/h2-5,17H,6-10H2,1H3,(H,18,19);2-6,8,11H,1,7H2
• InChIKey: OGHMVKVEKIJGCT-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 50.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.44
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide?

The IUPAC name of 1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide (CID 142490432) is 1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide.

What is the SMILES notation for 1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide?

The canonical SMILES for 1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide is C=CC1CC1c1ccc(Cl)cc1.CNC12CCC(NC(=O)COc3ccc(Cl)cc3)(C1)C2.

What is the InChIKey of 1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide?

The InChIKey is OGHMVKVEKIJGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2.C11H11Cl/c1-17-14-6-7-15(9-14,10-14)18-13(19)8-20-12-4-2-11(16)3-5-12;1-2-8-7-11(8)9-3-5-10(12)6-4-9/h2-5,17H,6-10H2,1H3,(H,18,19);2-6,8,11H,1,7H2.

What are the key properties of 1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide?

1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide has a molecular weight of 473.44 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-(2-ethenylcyclopropyl)benzene;2-(4-chlorophenoxy)-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]acetamide is sourced from PubChem (CID 142490432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).