N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide

C18H21F2N2O+ — CID 8878109

IUPACN-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
SMILESCCC(CC)c1cc[n+](CC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O/c1-3-13(4-2)14-7-9-22(10-8-14)12-18(23)21-15-5-6-16(19)17(20)11-15/h5-11,13H,3-4,12H2,1-2H3/p+1
InChIKeyCJJANZXRGZFOCI-UHFFFAOYSA-O
MW319.38 g/mol
LogP3.79
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide

N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide (PubChem CID 8878109) has the molecular formula C18H21F2N2O+ and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
PubChem CID8878109
Molecular FormulaC18H21F2N2O+
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC NameN-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
SMILESCCC(CC)c1cc[n+](CC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O/c1-3-13(4-2)14-7-9-22(10-8-14)12-18(23)21-15-5-6-16(19)17(20)11-15/h5-11,13H,3-4,12H2,1-2H3/p+1
InChIKeyCJJANZXRGZFOCI-UHFFFAOYSA-O
XLogP3.79
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-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

Related Compounds

N-(3,4-dichlorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878083
N-(3-methylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878092
N-(3-acetylphenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878078
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide
CID 8878164
N-(3,4-difluorophenyl)propanamide
CID 4285365
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3-chloro-4-fluorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide
CID 8865374
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N'-butan-2-yl-N-(3,4-difluorophenyl)propanediamide
CID 108941925
2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(propylcarbamoyl)acetamide
CID 8878002
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940959

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide (CID 8878109) is N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide is CCC(CC)c1cc[n+](CC(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
The InChIKey is CJJANZXRGZFOCI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20F2N2O/c1-3-13(4-2)14-7-9-22(10-8-14)12-18(23)21-15-5-6-16(19)17(20)11-15/h5-11,13H,3-4,12H2,1-2H3/p+1.
What are the key properties of N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide?
N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide has a molecular weight of 319.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8878109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).