(2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide

C26H23F3N2O2 — CID 87598047

About (2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide

(2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide (PubChem CID 87598047) has the molecular formula C26H23F3N2O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is (2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide.

Molecular Properties

• Compound Name: (2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
• PubChem CID: 87598047
• Molecular Formula: C26H23F3N2O2
• Molecular Weight: 452.48 g/mol
• Exact Mass: 452.17
• IUPAC Name: (2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
• SMILES: CCOc1ccc(/C(=C\C=C\C(=O)Nc2cccc(N)c2)c2ccc(C(F)(F)F)cc2)cc1
• InChI: InChI=1S/C26H23F3N2O2/c1-2-33-23-15-11-19(12-16-23)24(18-9-13-20(14-10-18)26(27,28)29)7-4-8-25(32)31-22-6-3-5-21(30)17-22/h3-17H,2,30H2,1H3,(H,31,32)/b8-4+,24-7-
• InChIKey: XFIBEUAGPQRZNP-SFZHHPOKSA-N
• XLogP: 6.31
• TPSA: 64.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.48
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?

The IUPAC name of (2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide (CID 87598047) is (2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide.

What is the SMILES notation for (2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?

The canonical SMILES for (2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide is CCOc1ccc(/C(=C\C=C\C(=O)Nc2cccc(N)c2)c2ccc(C(F)(F)F)cc2)cc1.

What is the InChIKey of (2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?

The InChIKey is XFIBEUAGPQRZNP-SFZHHPOKSA-N. The full InChI is InChI=1S/C26H23F3N2O2/c1-2-33-23-15-11-19(12-16-23)24(18-9-13-20(14-10-18)26(27,28)29)7-4-8-25(32)31-22-6-3-5-21(30)17-22/h3-17H,2,30H2,1H3,(H,31,32)/b8-4+,24-7-.

What are the key properties of (2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?

(2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide has a molecular weight of 452.48 g/mol, XLogP of 6.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4Z)-N-(3-aminophenyl)-5-(4-ethoxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide is sourced from PubChem (CID 87598047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).