N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide

C₁₁H₁₄F₃N₃O — CID 62241169

About N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide

N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 62241169) has the molecular formula C₁₁H₁₄F₃N₃O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
• PubChem CID: 62241169
• Molecular Formula: C₁₁H₁₄F₃N₃O
• Molecular Weight: 261.25 g/mol
• Exact Mass: 261.11
• IUPAC Name: N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
• SMILES: CCN(C)C(=O)c1ccc(NN)c(C(F)(F)F)c1
• InChI: InChI=1S/C11H14F3N3O/c1-3-17(2)10(18)7-4-5-9(16-15)8(6-7)11(12,13)14/h4-6,16H,3,15H2,1-2H3
• InChIKey: ANDFOCLEMQGBIM-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 58.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.25
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide?

The IUPAC name of N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide (CID 62241169) is N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide is CCN(C)C(=O)c1ccc(NN)c(C(F)(F)F)c1.

What is the InChIKey of N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide?

The InChIKey is ANDFOCLEMQGBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-3-17(2)10(18)7-4-5-9(16-15)8(6-7)11(12,13)14/h4-6,16H,3,15H2,1-2H3.

What are the key properties of N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide?

N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 261.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62241169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62241169 — identifiers, structure, computed properties (public domain)

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