N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide

C18H19FN2O3 — CID 5149295

IUPACN-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
SMILESCC(C)(C)NC(=O)C(C(=O)c1ccc(F)cc1)n1ccccc1=O
InChIInChI=1S/C18H19FN2O3/c1-18(2,3)20-17(24)15(21-11-5-4-6-14(21)22)16(23)12-7-9-13(19)10-8-12/h4-11,15H,1-3H3,(H,20,24)
InChIKeyVFOWYZPGWAAYFT-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.33
Rot. Bonds4

About N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide

N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide (PubChem CID 5149295) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
PubChem CID5149295
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
SMILESCC(C)(C)NC(=O)C(C(=O)c1ccc(F)cc1)n1ccccc1=O
InChIInChI=1S/C18H19FN2O3/c1-18(2,3)20-17(24)15(21-11-5-4-6-14(21)22)16(23)12-7-9-13(19)10-8-12/h4-11,15H,1-3H3,(H,20,24)
InChIKeyVFOWYZPGWAAYFT-UHFFFAOYSA-N
XLogP2.33
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide (CID 5149295) is N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide is CC(C)(C)NC(=O)C(C(=O)c1ccc(F)cc1)n1ccccc1=O.
What is the InChIKey of N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is VFOWYZPGWAAYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-18(2,3)20-17(24)15(21-11-5-4-6-14(21)22)16(23)12-7-9-13(19)10-8-12/h4-11,15H,1-3H3,(H,20,24).
What are the key properties of N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide?
N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 330.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-fluorophenyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 5149295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).