2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C15H14F3N2O+ — CID 4110787

IUPAC2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc[n+](CC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2O/c1-11-4-3-7-20(9-11)10-14(21)19-13-6-2-5-12(8-13)15(16,17)18/h2-9H,10H2,1H3/p+1
InChIKeyLTQQGWHYYWVMDK-UHFFFAOYSA-O
MW295.28 g/mol
LogP2.94
Rot. Bonds3

About 2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 4110787) has the molecular formula C15H14F3N2O+ and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID4110787
Molecular FormulaC15H14F3N2O+
Molecular Weight295.28 g/mol
Exact Mass295.11
IUPAC Name2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc[n+](CC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N2O/c1-11-4-3-7-20(9-11)10-14(21)19-13-6-2-5-12(8-13)15(16,17)18/h2-9H,10H2,1H3/p+1
InChIKeyLTQQGWHYYWVMDK-UHFFFAOYSA-O
XLogP2.94
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8751008
2-isoquinolin-2-ium-2-yl-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 126958260
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyridin-1-ium-1-yl]acetamide;methanol;yttrium
CID 155692700
CID 89006052
CID 89006052
2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3686927
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
N-(3-methylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8877099
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 4110787) is 2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1ccc[n+](CC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LTQQGWHYYWVMDK-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13F3N2O/c1-11-4-3-7-20(9-11)10-14(21)19-13-6-2-5-12(8-13)15(16,17)18/h2-9H,10H2,1H3/p+1.
What are the key properties of 2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 295.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4110787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).