2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride

C14H12ClF3N2O — CID 24747067

IUPAC2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride
SMILESO=C(C[n+]1ccccc1)Nc1ccccc1C(F)(F)F.[Cl-]
InChIInChI=1S/C14H11F3N2O.ClH/c15-14(16,17)11-6-2-3-7-12(11)18-13(20)10-19-8-4-1-5-9-19;/h1-9H,10H2;1H
InChIKeyCYLHODFUAAOROF-UHFFFAOYSA-N
MW316.71 g/mol
LogP-0.36
Rot. Bonds3

About 2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride

2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride (PubChem CID 24747067) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride.

Molecular Properties

Compound Name2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride
PubChem CID24747067
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride
SMILESO=C(C[n+]1ccccc1)Nc1ccccc1C(F)(F)F.[Cl-]
InChIInChI=1S/C14H11F3N2O.ClH/c15-14(16,17)11-6-2-3-7-12(11)18-13(20)10-19-8-4-1-5-9-19;/h1-9H,10H2;1H
InChIKeyCYLHODFUAAOROF-UHFFFAOYSA-N
XLogP-0.36
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride 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-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride?
The IUPAC name of 2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride (CID 24747067) is 2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride.
What is the SMILES notation for 2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride?
The canonical SMILES for 2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride is O=C(C[n+]1ccccc1)Nc1ccccc1C(F)(F)F.[Cl-].
What is the InChIKey of 2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride?
The InChIKey is CYLHODFUAAOROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O.ClH/c15-14(16,17)11-6-2-3-7-12(11)18-13(20)10-19-8-4-1-5-9-19;/h1-9H,10H2;1H.
What are the key properties of 2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride?
2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride has a molecular weight of 316.71 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-1-ium-1-yl-N-[2-(trifluoromethyl)phenyl]acetamide chloride is sourced from PubChem (CID 24747067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).