N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide

C₁₇H₁₅F₃N₂O₂ — CID 44998950

About N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide

N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 44998950) has the molecular formula C₁₇H₁₅F₃N₂O₂ and a molecular weight of 336.31 g/mol. Its IUPAC name is N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

• Compound Name: N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
• PubChem CID: 44998950
• Molecular Formula: C₁₇H₁₅F₃N₂O₂
• Molecular Weight: 336.31 g/mol
• Exact Mass: 336.11
• IUPAC Name: N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
• SMILES: CCc1ccccc1NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C17H15F3N2O2/c1-2-11-5-3-4-6-14(11)22-16(24)15(23)21-13-9-7-12(8-10-13)17(18,19)20/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
• InChIKey: RYJHROPRQUKJOU-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.31
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?

The IUPAC name of N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide (CID 44998950) is N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide.

What is the SMILES notation for N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?

The canonical SMILES for N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide is CCc1ccccc1NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1.

What is the InChIKey of N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?

The InChIKey is RYJHROPRQUKJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-2-11-5-3-4-6-14(11)22-16(24)15(23)21-13-9-7-12(8-10-13)17(18,19)20/h3-10H,2H2,1H3,(H,21,23)(H,22,24).

What are the key properties of N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?

N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 336.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 44998950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 44998950 — identifiers, structure, computed properties (public domain)

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