4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide

C24H23ClFN3O3 — CID 166683343

About 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide

4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide (PubChem CID 166683343) has the molecular formula C24H23ClFN3O3 and a molecular weight of 455.92 g/mol. Its IUPAC name is 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide.

Molecular Properties

• Compound Name: 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide
• PubChem CID: 166683343
• Molecular Formula: C24H23ClFN3O3
• Molecular Weight: 455.92 g/mol
• Exact Mass: 455.14
• IUPAC Name: 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide
• SMILES: O=C(Nc1ccc(F)cc1)c1ccc(N2CCC(Oc3ncccc3Cl)C2)c(CCO)c1
• InChI: InChI=1S/C24H23ClFN3O3/c25-21-2-1-11-27-24(21)32-20-9-12-29(15-20)22-8-3-17(14-16(22)10-13-30)23(31)28-19-6-4-18(26)5-7-19/h1-8,11,14,20,30H,9-10,12-13,15H2,(H,28,31)
• InChIKey: LPIFFUCQHPBEKZ-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 74.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.92
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide?

The IUPAC name of 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide (CID 166683343) is 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide.

What is the SMILES notation for 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide?

The canonical SMILES for 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide is O=C(Nc1ccc(F)cc1)c1ccc(N2CCC(Oc3ncccc3Cl)C2)c(CCO)c1.

What is the InChIKey of 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide?

The InChIKey is LPIFFUCQHPBEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O3/c25-21-2-1-11-27-24(21)32-20-9-12-29(15-20)22-8-3-17(14-16(22)10-13-30)23(31)28-19-6-4-18(26)5-7-19/h1-8,11,14,20,30H,9-10,12-13,15H2,(H,28,31).

What are the key properties of 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide?

4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide has a molecular weight of 455.92 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(4-fluorophenyl)-3-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 166683343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).