N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide

C12H10FN3O2 — CID 115679426

IUPACN-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnccc1=O)Nc1cccc(F)c1
InChIInChI=1S/C12H10FN3O2/c13-9-2-1-3-10(6-9)15-11(17)7-16-8-14-5-4-12(16)18/h1-6,8H,7H2,(H,15,17)
InChIKeyGPOBGGXGNVKQSV-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.02
Rot. Bonds3

About N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide

N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 115679426) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID115679426
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC NameN-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnccc1=O)Nc1cccc(F)c1
InChIInChI=1S/C12H10FN3O2/c13-9-2-1-3-10(6-9)15-11(17)7-16-8-14-5-4-12(16)18/h1-6,8H,7H2,(H,15,17)
InChIKeyGPOBGGXGNVKQSV-UHFFFAOYSA-N
XLogP1.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 115679497
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 121064421
N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064147
2-(4,5-dimethylimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 115616714
N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064222
N-(3-fluorophenyl)-2-(2-formylimidazol-1-yl)acetamide
CID 62222625
N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 55237811
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 114584066
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-fluorophenyl)acetamide
CID 122278424
N-(3-fluorophenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956825
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-fluorophenyl)acetamide
CID 7252285

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide (CID 115679426) is N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide is O=C(Cn1cnccc1=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is GPOBGGXGNVKQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-9-2-1-3-10(6-9)15-11(17)7-16-8-14-5-4-12(16)18/h1-6,8H,7H2,(H,15,17).
What are the key properties of N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide?
N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 247.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 115679426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).