2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene

C20H25ClF3N3O3 — CID 142528168

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene

2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene (PubChem CID 142528168) has the molecular formula C20H25ClF3N3O3 and a molecular weight of 447.89 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene.

Molecular Properties

• Compound Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene
• PubChem CID: 142528168
• Molecular Formula: C20H25ClF3N3O3
• Molecular Weight: 447.89 g/mol
• Exact Mass: 447.15
• IUPAC Name: 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene
• SMILES: C=C.CCC(Cc1nnc(CCCNC(=O)COc2ccc(Cl)c(F)c2)o1)C(F)F
• InChI: InChI=1S/C18H21ClF3N3O3.C2H4/c1-2-11(18(21)22)8-17-25-24-16(28-17)4-3-7-23-15(26)10-27-12-5-6-13(19)14(20)9-12;1-2/h5-6,9,11,18H,2-4,7-8,10H2,1H3,(H,23,26);1-2H2
• InChIKey: LFNACNGWJVQBPM-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.89
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene?

The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene (CID 142528168) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene.

What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene?

The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene is C=C.CCC(Cc1nnc(CCCNC(=O)COc2ccc(Cl)c(F)c2)o1)C(F)F.

What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene?

The InChIKey is LFNACNGWJVQBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF3N3O3.C2H4/c1-2-11(18(21)22)8-17-25-24-16(28-17)4-3-7-23-15(26)10-27-12-5-6-13(19)14(20)9-12;1-2/h5-6,9,11,18H,2-4,7-8,10H2,1H3,(H,23,26);1-2H2.

What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene?

2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene has a molecular weight of 447.89 g/mol, XLogP of 4.63, 11 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-[3-[5-[2-(difluoromethyl)butyl]-1,3,4-oxadiazol-2-yl]propyl]acetamide;ethene is sourced from PubChem (CID 142528168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).