(2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide

C16H15FN2O4 — CID 7324233

IUPAC(2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(NCCO)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O
InChIInChI=1S/C16H15FN2O4/c17-12-6-4-11(5-7-12)15(22)14(16(23)18-8-10-20)19-9-2-1-3-13(19)21/h1-7,9,14,20H,8,10H2,(H,18,23)/t14-/m0/s1
InChIKeyGTQLXGXKAXUIAG-AWEZNQCLSA-N
MW318.30 g/mol
LogP0.52
Rot. Bonds6

About (2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide

(2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide (PubChem CID 7324233) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is (2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
PubChem CID7324233
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name(2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(NCCO)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O
InChIInChI=1S/C16H15FN2O4/c17-12-6-4-11(5-7-12)15(22)14(16(23)18-8-10-20)19-9-2-1-3-13(19)21/h1-7,9,14,20H,8,10H2,(H,18,23)/t14-/m0/s1
InChIKeyGTQLXGXKAXUIAG-AWEZNQCLSA-N
XLogP0.52
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[[(2S)-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]amino]ethyl-dimethylazanium
CID 7233749
2-[[(2R)-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]amino]ethyl-dimethylazanium
CID 7233747
(2S)-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide
CID 7323647
N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 5149295
(2R)-N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 42502735
3-[[(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxopropanoyl]amino]propyl-diethylazanium
CID 7233778
1-[3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanoyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3979678
2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide
CID 3973125
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide
CID 7317030
(2S)-N-[(2R)-2-ethylhexyl]-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide
CID 7324264
2-(4-fluorophenyl)-2-hydroxy-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 77080089
N-tert-butyl-3-(4-fluorophenyl)-2-(5-methyl-2-oxo-1-pyridinyl)-3-oxopropanamide
CID 3924958

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of (2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide (CID 7324233) is (2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for (2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for (2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide is O=C(NCCO)[C@H](C(=O)c1ccc(F)cc1)n1ccccc1=O.
What is the InChIKey of (2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is GTQLXGXKAXUIAG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15FN2O4/c17-12-6-4-11(5-7-12)15(22)14(16(23)18-8-10-20)19-9-2-1-3-13(19)21/h1-7,9,14,20H,8,10H2,(H,18,23)/t14-/m0/s1.
What are the key properties of (2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
(2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 318.30 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 7324233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).