N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C11H13F3N2O3 — CID 8894327

IUPACN-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOCCNC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H13F3N2O3/c1-19-5-4-15-9(17)7-16-6-8(11(12,13)14)2-3-10(16)18/h2-3,6H,4-5,7H2,1H3,(H,15,17)
InChIKeyZVNQGVZEYQRUAE-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.63
Rot. Bonds5

About N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 8894327) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID8894327
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOCCNC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C11H13F3N2O3/c1-19-5-4-15-9(17)7-16-6-8(11(12,13)14)2-3-10(16)18/h2-3,6H,4-5,7H2,1H3,(H,15,17)
InChIKeyZVNQGVZEYQRUAE-UHFFFAOYSA-N
XLogP0.63
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 8894327) is N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is COCCNC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is ZVNQGVZEYQRUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-19-5-4-15-9(17)7-16-6-8(11(12,13)14)2-3-10(16)18/h2-3,6H,4-5,7H2,1H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 278.23 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 8894327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).