2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide

C14H13ClFN3O3 — CID 142528068

About 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide (PubChem CID 142528068) has the molecular formula C14H13ClFN3O3 and a molecular weight of 325.73 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide
• PubChem CID: 142528068
• Molecular Formula: C14H13ClFN3O3
• Molecular Weight: 325.73 g/mol
• Exact Mass: 325.06
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide
• SMILES: C=C(CCc1nnco1)NC(=O)COc1ccc(Cl)c(F)c1
• InChI: InChI=1S/C14H13ClFN3O3/c1-9(2-5-14-19-17-8-22-14)18-13(20)7-21-10-3-4-11(15)12(16)6-10/h3-4,6,8H,1-2,5,7H2,(H,18,20)
• InChIKey: HJZDTOKXSPPAQZ-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.73
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide (CID 142528068) is 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide is C=C(CCc1nnco1)NC(=O)COc1ccc(Cl)c(F)c1.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide?

The InChIKey is HJZDTOKXSPPAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O3/c1-9(2-5-14-19-17-8-22-14)18-13(20)7-21-10-3-4-11(15)12(16)6-10/h3-4,6,8H,1-2,5,7H2,(H,18,20).

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide?

2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide has a molecular weight of 325.73 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-3-fluorophenoxy)-N-[4-(1,3,4-oxadiazol-2-yl)but-1-en-2-yl]acetamide is sourced from PubChem (CID 142528068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).