N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide

C8H8FN3O — CID 67017111

IUPACN-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide
SMILESCC(=O)NC=Cc1ncc(F)cn1
InChIInChI=1S/C8H8FN3O/c1-6(13)10-3-2-8-11-4-7(9)5-12-8/h2-5H,1H3,(H,10,13)
InChIKeyLODLVIXGMGXEQF-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.72
Rot. Bonds2

About N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide

N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide (PubChem CID 67017111) has the molecular formula C8H8FN3O and a molecular weight of 181.17 g/mol. Its IUPAC name is N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide
PubChem CID67017111
Molecular FormulaC8H8FN3O
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC NameN-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide
SMILESCC(=O)NC=Cc1ncc(F)cn1
InChIInChI=1S/C8H8FN3O/c1-6(13)10-3-2-8-11-4-7(9)5-12-8/h2-5H,1H3,(H,10,13)
InChIKeyLODLVIXGMGXEQF-UHFFFAOYSA-N
XLogP0.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 273584
CID 273584
CID 586434
CID 586434
CID 43616335
CID 43616335
CID 90654975
CID 90654975
CID 3524781
CID 3524781
CID 4220870
CID 4220870
CID 316978
CID 316978
CID 18505834
CID 18505834
CID 130920019
CID 130920019
CID 45119272
CID 45119272
CID 58367416
CID 58367416
CID 11483414
CID 11483414

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide?
The IUPAC name of N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide (CID 67017111) is N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide.
What is the SMILES notation for N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide?
The canonical SMILES for N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide is CC(=O)NC=Cc1ncc(F)cn1.
What is the InChIKey of N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide?
The InChIKey is LODLVIXGMGXEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O/c1-6(13)10-3-2-8-11-4-7(9)5-12-8/h2-5H,1H3,(H,10,13).
What are the key properties of N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide?
N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide has a molecular weight of 181.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide is sourced from PubChem (CID 67017111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).