N-fluoro-N-(2-pyrazin-2-ylethyl)acetamide

C8H10FN3O — CID 174579049

IUPACN-fluoro-N-(2-pyrazin-2-ylethyl)acetamide
SMILESCC(=O)N(F)CCc1cnccn1
InChIInChI=1S/C8H10FN3O/c1-7(13)12(9)5-2-8-6-10-3-4-11-8/h3-4,6H,2,5H2,1H3
InChIKeyLPIOEDDZLKHOFF-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.75
Rot. Bonds3

About N-fluoro-N-(2-pyrazin-2-ylethyl)acetamide

N-fluoro-N-(2-pyrazin-2-ylethyl)acetamide (PubChem CID 174579049) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is N-fluoro-N-(2-pyrazin-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-fluoro-N-(2-pyrazin-2-ylethyl)acetamide
PubChem CID174579049
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC NameN-fluoro-N-(2-pyrazin-2-ylethyl)acetamide
SMILESCC(=O)N(F)CCc1cnccn1
InChIInChI=1S/C8H10FN3O/c1-7(13)12(9)5-2-8-6-10-3-4-11-8/h3-4,6H,2,5H2,1H3
InChIKeyLPIOEDDZLKHOFF-UHFFFAOYSA-N
XLogP0.75
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-fluoro-N-(2-pyrazin-2-ylethyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-(2-pyrazin-2-ylethyl)acetamide?
The IUPAC name of N-fluoro-N-(2-pyrazin-2-ylethyl)acetamide (CID 174579049) is N-fluoro-N-(2-pyrazin-2-ylethyl)acetamide.
What is the SMILES notation for N-fluoro-N-(2-pyrazin-2-ylethyl)acetamide?
The canonical SMILES for N-fluoro-N-(2-pyrazin-2-ylethyl)acetamide is CC(=O)N(F)CCc1cnccn1.
What is the InChIKey of N-fluoro-N-(2-pyrazin-2-ylethyl)acetamide?
The InChIKey is LPIOEDDZLKHOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-7(13)12(9)5-2-8-6-10-3-4-11-8/h3-4,6H,2,5H2,1H3.
What are the key properties of N-fluoro-N-(2-pyrazin-2-ylethyl)acetamide?
N-fluoro-N-(2-pyrazin-2-ylethyl)acetamide has a molecular weight of 183.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-(2-pyrazin-2-ylethyl)acetamide is sourced from PubChem (CID 174579049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).