N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride

C13H13ClFN2O+ — CID 126958727

IUPACN-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride
SMILESCl.O=C(C[n+]1ccccc1)Nc1ccccc1F
InChIInChI=1S/C13H11FN2O.ClH/c14-11-6-2-3-7-12(11)15-13(17)10-16-8-4-1-5-9-16;/h1-9H,10H2;1H/p+1
InChIKeyOQHUKONAZREDAL-UHFFFAOYSA-O
MW267.71 g/mol
LogP2.17
Rot. Bonds3

About N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride

N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride (PubChem CID 126958727) has the molecular formula C13H13ClFN2O+ and a molecular weight of 267.71 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride
PubChem CID126958727
Molecular FormulaC13H13ClFN2O+
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC NameN-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride
SMILESCl.O=C(C[n+]1ccccc1)Nc1ccccc1F
InChIInChI=1S/C13H11FN2O.ClH/c14-11-6-2-3-7-12(11)15-13(17)10-16-8-4-1-5-9-16;/h1-9H,10H2;1H/p+1
InChIKeyOQHUKONAZREDAL-UHFFFAOYSA-O
XLogP2.17
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-fluorophenyl)-2-isoquinolin-2-ium-2-ylacetamide chloride
CID 45047019
2-(3-acetylpyridin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8831431
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
CID 8859201
N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide
CID 19993619
N'-(2-fluorophenyl)propanediamide
CID 70002209
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
N-(2-fluorophenyl)butanamide
CID 849021
N-(2-fluorophenyl)-2-isocyanoacetamide
CID 108814748
N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
CID 91820804
N-[1-hydroxy-8-[(2-pyridin-1-ium-1-ylacetyl)amino]naphthalen-2-yl]-2-pyridin-1-ium-1-ylacetamide dichloride
CID 18172744

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride?
The IUPAC name of N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride (CID 126958727) is N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride is Cl.O=C(C[n+]1ccccc1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride?
The InChIKey is OQHUKONAZREDAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11FN2O.ClH/c14-11-6-2-3-7-12(11)15-13(17)10-16-8-4-1-5-9-16;/h1-9H,10H2;1H/p+1.
What are the key properties of N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride?
N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride has a molecular weight of 267.71 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride is sourced from PubChem (CID 126958727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).