2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide

C21H14ClF2N3O3 — CID 175548814

About 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide

2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide (PubChem CID 175548814) has the molecular formula C21H14ClF2N3O3 and a molecular weight of 429.81 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide
• PubChem CID: 175548814
• Molecular Formula: C21H14ClF2N3O3
• Molecular Weight: 429.81 g/mol
• Exact Mass: 429.07
• IUPAC Name: 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide
• SMILES: COc1cn(C(F)C(=O)Nc2cccc(F)c2)c(=O)cc1-c1cc(Cl)ccc1C#N
• InChI: InChI=1S/C21H14ClF2N3O3/c1-30-18-11-27(20(24)21(29)26-15-4-2-3-14(23)8-15)19(28)9-17(18)16-7-13(22)6-5-12(16)10-25/h2-9,11,20H,1H3,(H,26,29)
• InChIKey: GBJVMXOPVDUFBW-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 84.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.81
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide?

The IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide (CID 175548814) is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide.

What is the SMILES notation for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide?

The canonical SMILES for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide is COc1cn(C(F)C(=O)Nc2cccc(F)c2)c(=O)cc1-c1cc(Cl)ccc1C#N.

What is the InChIKey of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide?

The InChIKey is GBJVMXOPVDUFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N3O3/c1-30-18-11-27(20(24)21(29)26-15-4-2-3-14(23)8-15)19(28)9-17(18)16-7-13(22)6-5-12(16)10-25/h2-9,11,20H,1H3,(H,26,29).

What are the key properties of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide?

2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide has a molecular weight of 429.81 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 175548814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).