(2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide

C20H18FN2O+ — CID 8876427

IUPAC(2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cc1)[n+]1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H17FN2O/c1-15(20(24)22-19-11-9-18(21)10-12-19)23-13-5-8-17(14-23)16-6-3-2-4-7-16/h2-15H,1H3/p+1/t15-/m0/s1
InChIKeyRPJWUKLHUCFOHS-HNNXBMFYSA-O
MW321.38 g/mol
LogP3.98
Rot. Bonds4

About (2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide

(2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide (PubChem CID 8876427) has the molecular formula C20H18FN2O+ and a molecular weight of 321.38 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide
PubChem CID8876427
Molecular FormulaC20H18FN2O+
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cc1)[n+]1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H17FN2O/c1-15(20(24)22-19-11-9-18(21)10-12-19)23-13-5-8-17(14-23)16-6-3-2-4-7-16/h2-15H,1H3/p+1/t15-/m0/s1
InChIKeyRPJWUKLHUCFOHS-HNNXBMFYSA-O
XLogP3.98
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.98
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)-2-(3-phenylpyridin-1-ium-1-yl)propanoic acid
CID 7279437
2-(3-phenylpyridin-1-ium-1-yl)propanoic acid
CID 3151110
(2S)-2-(3-acetylpyridin-1-ium-1-yl)-N-phenylpropanamide
CID 8830820
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
(2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 8773410
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
(2S)-N-(4-acetylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)propanamide
CID 8773398
(2S)-N-(4-fluorophenyl)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)propanamide
CID 8878012
1-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide
CID 8831673
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
3-(4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 67508161

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide (CID 8876427) is (2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide is C[C@@H](C(=O)Nc1ccc(F)cc1)[n+]1cccc(-c2ccccc2)c1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide?
The InChIKey is RPJWUKLHUCFOHS-HNNXBMFYSA-O. The full InChI is InChI=1S/C20H17FN2O/c1-15(20(24)22-19-11-9-18(21)10-12-19)23-13-5-8-17(14-23)16-6-3-2-4-7-16/h2-15H,1H3/p+1/t15-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide?
(2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide has a molecular weight of 321.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-(3-phenylpyridin-1-ium-1-yl)propanamide is sourced from PubChem (CID 8876427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).