(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide

C21H18Cl2FN3O3 — CID 141423423

About (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide

(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide (PubChem CID 141423423) has the molecular formula C21H18Cl2FN3O3 and a molecular weight of 450.30 g/mol. Its IUPAC name is (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide.

Molecular Properties

• Compound Name: (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide
• PubChem CID: 141423423
• Molecular Formula: C21H18Cl2FN3O3
• Molecular Weight: 450.30 g/mol
• Exact Mass: 449.07
• IUPAC Name: (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide
• SMILES: CCN(C(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1)c1ncccc1Cl
• InChI: InChI=1S/C21H18Cl2FN3O3/c1-3-27(19-17(23)5-4-10-25-19)21(28)13(2)29-15-6-8-16(9-7-15)30-20-18(24)11-14(22)12-26-20/h4-13H,3H2,1-2H3/t13-/m1/s1
• InChIKey: HDFZVZXBXHVFEK-CYBMUJFWSA-N
• XLogP: 5.54
• TPSA: 64.55 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.30
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide?

The IUPAC name of (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide (CID 141423423) is (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide.

What is the SMILES notation for (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide?

The canonical SMILES for (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide is CCN(C(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1)c1ncccc1Cl.

What is the InChIKey of (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide?

The InChIKey is HDFZVZXBXHVFEK-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18Cl2FN3O3/c1-3-27(19-17(23)5-4-10-25-19)21(28)13(2)29-15-6-8-16(9-7-15)30-20-18(24)11-14(22)12-26-20/h4-13H,3H2,1-2H3/t13-/m1/s1.

What are the key properties of (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide?

(2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide has a molecular weight of 450.30 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-N-(3-chloro-2-pyridinyl)-N-ethylpropanamide is sourced from PubChem (CID 141423423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).