3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide

C19H19FN2O4 — CID 650258

IUPAC3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(NCC1CCCO1)C(C(=O)c1ccc(F)cc1)n1ccccc1=O
InChIInChI=1S/C19H19FN2O4/c20-14-8-6-13(7-9-14)18(24)17(22-10-2-1-5-16(22)23)19(25)21-12-15-4-3-11-26-15/h1-2,5-10,15,17H,3-4,11-12H2,(H,21,25)
InChIKeyDIXZIYPBWQQWHW-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.71
Rot. Bonds6

About 3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide

3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide (PubChem CID 650258) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide
PubChem CID650258
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(NCC1CCCO1)C(C(=O)c1ccc(F)cc1)n1ccccc1=O
InChIInChI=1S/C19H19FN2O4/c20-14-8-6-13(7-9-14)18(24)17(22-10-2-1-5-16(22)23)19(25)21-12-15-4-3-11-26-15/h1-2,5-10,15,17H,3-4,11-12H2,(H,21,25)
InChIKeyDIXZIYPBWQQWHW-UHFFFAOYSA-N
XLogP1.71
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4883577
N-[3-(morpholin-4-yl)propyl]-3-oxo-2-(2-oxopyridin-1(2H)-yl)-3-phenylpropanamide
CID 648870
3-oxo-2-(2-oxopyridin-1(2H)-yl)-3-phenyl-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 651329
N-(2-{[1-(cyclohexylcarbamoyl)cyclohexyl](tetrahydrofuran-2-ylmethyl)amino}-2-oxoethyl)benzamide
CID 5027420
N-((Z)-2-phenyl-1-{[(tetrahydrofuran-2-ylmethyl)amino]carbonyl}vinyl)benzamide
CID 6916239
4-ethyl-N-{3-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]butan-2-yl}benzamide
CID 2975014
Saroclide A
CID 139589956
N-(2-Phenyl-1-((tetrahydro-furan-2-ylmethyl)-carbamoyl)-vinyl)-benzamide
CID 5755105
(2Z)-2-[(4-Methylphenyl)formamido]-N-[(oxolan-2-YL)methyl]-3-phenylprop-2-enamide
CID 12006063
N-(2-Diethylamino-ethyl)-3-oxo-2-(2-oxo-2H-pyridin-1-yl)-3-phenyl-propionamide
CID 648008
2-(5-Chloro-2-oxo-2H-pyridin-1-yl)-3-oxo-3-phenyl-N-(tetrahydro-furan-2-ylmethyl)-propionamide
CID 651988
N-(phenylcarbonyl)glycyl-N-cyclohexyl-N~2~-(tetrahydrofuran-2-ylmethyl)isovalinamide
CID 4011935

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide (CID 650258) is 3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide is O=C(NCC1CCCO1)C(C(=O)c1ccc(F)cc1)n1ccccc1=O.
What is the InChIKey of 3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is DIXZIYPBWQQWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-14-8-6-13(7-9-14)18(24)17(22-10-2-1-5-16(22)23)19(25)21-12-15-4-3-11-26-15/h1-2,5-10,15,17H,3-4,11-12H2,(H,21,25).
What are the key properties of 3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide?
3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 358.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-oxo-N-(oxolan-2-ylmethyl)-2-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 650258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).