N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide

C12H9FN4O2 — CID 108520680

IUPACN-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide
SMILESO=C(Nc1ncccn1)C(=O)Nc1ccccc1F
InChIInChI=1S/C12H9FN4O2/c13-8-4-1-2-5-9(8)16-10(18)11(19)17-12-14-6-3-7-15-12/h1-7H,(H,16,18)(H,14,15,17,19)
InChIKeySKKLTUKPEVJCLJ-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.19
Rot. Bonds2

About N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide

N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide (PubChem CID 108520680) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide
PubChem CID108520680
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC NameN-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide
SMILESO=C(Nc1ncccn1)C(=O)Nc1ccccc1F
InChIInChI=1S/C12H9FN4O2/c13-8-4-1-2-5-9(8)16-10(18)11(19)17-12-14-6-3-7-15-12/h1-7H,(H,16,18)(H,14,15,17,19)
InChIKeySKKLTUKPEVJCLJ-UHFFFAOYSA-N
XLogP1.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514248
N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide
CID 44996588
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
2-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-N-(2-fluorophenyl)-2-oxoacetamide
CID 75478194
N'-(3,5-dichlorophenyl)-N-(2-fluorophenyl)oxamide
CID 108520851
1-[2-(dimethylamino)-3-pyridinyl]-3-(2-fluorophenyl)urea
CID 53016555
4-amino-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 62155055
2-bromo-N-(2-fluorophenyl)but-2-enamide
CID 54001834
N-(3-acetamidophenyl)-N'-(2-fluorophenyl)oxamide
CID 108520808
N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide
CID 47226224
N,N'-bis(2-fluorophenyl)-2-(quinolin-6-ylmethylidene)propanediamide
CID 55353614
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
CID 4123319

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide?
The IUPAC name of N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide (CID 108520680) is N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide is O=C(Nc1ncccn1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide?
The InChIKey is SKKLTUKPEVJCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2/c13-8-4-1-2-5-9(8)16-10(18)11(19)17-12-14-6-3-7-15-12/h1-7H,(H,16,18)(H,14,15,17,19).
What are the key properties of N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide?
N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide has a molecular weight of 260.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide is sourced from PubChem (CID 108520680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).