2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C16H15ClFN3O3 — CID 166402366

IUPAC2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1CCOCC1F)c1cc(=O)[nH]c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H15ClFN3O3/c17-10-3-1-9(2-4-10)15-19-13(7-14(22)21-15)16(23)20-12-5-6-24-8-11(12)18/h1-4,7,11-12H,5-6,8H2,(H,20,23)(H,19,21,22)
InChIKeyZKTKILBKASQDBF-UHFFFAOYSA-N
MW351.77 g/mol
LogP1.95
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide

2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 166402366) has the molecular formula C16H15ClFN3O3 and a molecular weight of 351.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID166402366
Molecular FormulaC16H15ClFN3O3
Molecular Weight351.77 g/mol
Exact Mass351.08
IUPAC Name2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NC1CCOCC1F)c1cc(=O)[nH]c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H15ClFN3O3/c17-10-3-1-9(2-4-10)15-19-13(7-14(22)21-15)16(23)20-12-5-6-24-8-11(12)18/h1-4,7,11-12H,5-6,8H2,(H,20,23)(H,19,21,22)
InChIKeyZKTKILBKASQDBF-UHFFFAOYSA-N
XLogP1.95
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975507
5-(4-chlorophenyl)-N-(3-methyloxan-4-yl)pyridine-3-carboxamide
CID 166229070
8-fluoro-N-(3-hydroxyoxan-4-yl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]quinoline-2-carboxamide
CID 67322650
5-chloro-7-(4-chlorophenyl)-N-[(3S,4S)-3-fluorooxan-4-yl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688868
8-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(2-oxo-1H-pyridin-4-yl)methyl]quinoline-2-carboxamide
CID 53307364
2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154865335
2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide
CID 91795988
2-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 136967064
N-[1-(3-chlorophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982731
3-(4-chlorophenyl)-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-6-oxo-1H-pyridazine-5-carboxamide
CID 150536547
2-cyclopropyl-N-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154869775
5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 79442335

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 166402366) is 2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide is O=C(NC1CCOCC1F)c1cc(=O)[nH]c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is ZKTKILBKASQDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O3/c17-10-3-1-9(2-4-10)15-19-13(7-14(22)21-15)16(23)20-12-5-6-24-8-11(12)18/h1-4,7,11-12H,5-6,8H2,(H,20,23)(H,19,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 351.77 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-fluorooxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 166402366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).