N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide

C15H16FN2O+ — CID 8717579

IUPACN-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1ccc(NC(=O)C[n+]2ccccc2C)c(F)c1
InChIInChI=1S/C15H15FN2O/c1-11-6-7-14(13(16)9-11)17-15(19)10-18-8-4-3-5-12(18)2/h3-9H,10H2,1-2H3/p+1
InChIKeyKPLAXYRDWAHEIA-UHFFFAOYSA-O
MW259.30 g/mol
LogP2.37
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide

N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 8717579) has the molecular formula C15H16FN2O+ and a molecular weight of 259.30 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
PubChem CID8717579
Molecular FormulaC15H16FN2O+
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
SMILESCc1ccc(NC(=O)C[n+]2ccccc2C)c(F)c1
InChIInChI=1S/C15H15FN2O/c1-11-6-7-14(13(16)9-11)17-15(19)10-18-8-4-3-5-12(18)2/h3-9H,10H2,1-2H3/p+1
InChIKeyKPLAXYRDWAHEIA-UHFFFAOYSA-O
XLogP2.37
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.37
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

N-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826865
N-(2,4-dibromophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8826976
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
N-(2-anilinophenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide chloride
CID 19993624
N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7815061
N-(2-bromo-4-methylphenyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide
CID 8828520
3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 43309199
2-(2-ethoxyphenoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8893933
4-(2-fluoro-4-methylanilino)-4-oxobutanoic acid
CID 43396222
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 79463499

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide (CID 8717579) is N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide is Cc1ccc(NC(=O)C[n+]2ccccc2C)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is KPLAXYRDWAHEIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15FN2O/c1-11-6-7-14(13(16)9-11)17-15(19)10-18-8-4-3-5-12(18)2/h3-9H,10H2,1-2H3/p+1.
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide?
N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 259.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8717579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).