N-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide

C13H11ClFN2O2+ — CID 8751298

IUPACN-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
SMILESO=C(C[n+]1cccc(O)c1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H10ClFN2O2/c14-9-3-4-12(11(15)6-9)16-13(19)8-17-5-1-2-10(18)7-17/h1-7H,8H2,(H-,16,18,19)/p+1
InChIKeyVAYPIMMJGSJKOH-UHFFFAOYSA-O
MW281.69 g/mol
LogP2.11
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide

N-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide (PubChem CID 8751298) has the molecular formula C13H11ClFN2O2+ and a molecular weight of 281.69 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
PubChem CID8751298
Molecular FormulaC13H11ClFN2O2+
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
SMILESO=C(C[n+]1cccc(O)c1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H10ClFN2O2/c14-9-3-4-12(11(15)6-9)16-13(19)8-17-5-1-2-10(18)7-17/h1-7H,8H2,(H-,16,18,19)/p+1
InChIKeyVAYPIMMJGSJKOH-UHFFFAOYSA-O
XLogP2.11
TPSA53.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)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 N-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide (CID 8751298) is N-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide is O=C(C[n+]1cccc(O)c1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
The InChIKey is VAYPIMMJGSJKOH-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H10ClFN2O2/c14-9-3-4-12(11(15)6-9)16-13(19)8-17-5-1-2-10(18)7-17/h1-7H,8H2,(H-,16,18,19)/p+1.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide has a molecular weight of 281.69 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8751298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).