N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide

C23H20ClFN2O3 — CID 161343802

About N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide

N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide (PubChem CID 161343802) has the molecular formula C23H20ClFN2O3 and a molecular weight of 426.88 g/mol. Its IUPAC name is N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide
• PubChem CID: 161343802
• Molecular Formula: C23H20ClFN2O3
• Molecular Weight: 426.88 g/mol
• Exact Mass: 426.11
• IUPAC Name: N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide
• SMILES: O=C(COc1ccc(Cl)c(F)c1)CC12CC(NC(=O)c3cc4ccccn4c3)(C1)C2
• InChI: InChI=1S/C23H20ClFN2O3/c24-19-5-4-18(8-20(19)25)30-11-17(28)9-22-12-23(13-22,14-22)26-21(29)15-7-16-3-1-2-6-27(16)10-15/h1-8,10H,9,11-14H2,(H,26,29)
• InChIKey: VNALJHAYAWDDDB-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.88
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide?

The IUPAC name of N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide (CID 161343802) is N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide.

What is the SMILES notation for N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide?

The canonical SMILES for N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide is O=C(COc1ccc(Cl)c(F)c1)CC12CC(NC(=O)c3cc4ccccn4c3)(C1)C2.

What is the InChIKey of N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide?

The InChIKey is VNALJHAYAWDDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O3/c24-19-5-4-18(8-20(19)25)30-11-17(28)9-22-12-23(13-22,14-22)26-21(29)15-7-16-3-1-2-6-27(16)10-15/h1-8,10H,9,11-14H2,(H,26,29).

What are the key properties of N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide?

N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide has a molecular weight of 426.88 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]indolizine-2-carboxamide is sourced from PubChem (CID 161343802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).