2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide

C11H12ClF3N2O3 — CID 2587460

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C11H12ClF3N2O3/c1-20-3-2-16-9(18)6-17-5-7(11(13,14)15)4-8(12)10(17)19/h4-5H,2-3,6H2,1H3,(H,16,18)
InChIKeyAGSPZBORRAWPPX-UHFFFAOYSA-N
MW312.68 g/mol
LogP1.28
Rot. Bonds5

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide (PubChem CID 2587460) has the molecular formula C11H12ClF3N2O3 and a molecular weight of 312.68 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide
PubChem CID2587460
Molecular FormulaC11H12ClF3N2O3
Molecular Weight312.68 g/mol
Exact Mass312.05
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C11H12ClF3N2O3/c1-20-3-2-16-9(18)6-17-5-7(11(13,14)15)4-8(12)10(17)19/h4-5H,2-3,6H2,1H3,(H,16,18)
InChIKeyAGSPZBORRAWPPX-UHFFFAOYSA-N
XLogP1.28
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide (CID 2587460) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is AGSPZBORRAWPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O3/c1-20-3-2-16-9(18)6-17-5-7(11(13,14)15)4-8(12)10(17)19/h4-5H,2-3,6H2,1H3,(H,16,18).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 312.68 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 2587460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).