(2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide

C15H16FN2O+ — CID 8827311

IUPAC(2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide
SMILESCc1cc[n+]([C@H](C)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C15H15FN2O/c1-11-7-9-18(10-8-11)12(2)15(19)17-14-6-4-3-5-13(14)16/h3-10,12H,1-2H3/p+1/t12-/m1/s1
InChIKeyBKEPCEOFRDBOMW-GFCCVEGCSA-O
MW259.30 g/mol
LogP2.62
Rot. Bonds3

About (2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide

(2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide (PubChem CID 8827311) has the molecular formula C15H16FN2O+ and a molecular weight of 259.30 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide
PubChem CID8827311
Molecular FormulaC15H16FN2O+
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide
SMILESCc1cc[n+]([C@H](C)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C15H15FN2O/c1-11-7-9-18(10-8-11)12(2)15(19)17-14-6-4-3-5-13(14)16/h3-10,12H,1-2H3/p+1/t12-/m1/s1
InChIKeyBKEPCEOFRDBOMW-GFCCVEGCSA-O
XLogP2.62
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 ≤ 52.62
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

(2S)-N-(2-fluorophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide
CID 8876911
(2R)-N-(4-methylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide
CID 8827101
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
(2S)-N-(3-acetylphenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide
CID 8827056
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319
2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 110601209
(2S)-N-(2-fluorophenyl)-2-(3-methylphenoxy)propanamide
CID 2710252
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 46790194
(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
CID 93258112

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide (CID 8827311) is (2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide is Cc1cc[n+]([C@H](C)C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide?
The InChIKey is BKEPCEOFRDBOMW-GFCCVEGCSA-O. The full InChI is InChI=1S/C15H15FN2O/c1-11-7-9-18(10-8-11)12(2)15(19)17-14-6-4-3-5-13(14)16/h3-10,12H,1-2H3/p+1/t12-/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide?
(2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide has a molecular weight of 259.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide is sourced from PubChem (CID 8827311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).