2-fluoro-N-(4-nitrophenyl)acetamide

C8H7FN2O3 — CID 9726

IUPAC2-fluoro-N-(4-nitrophenyl)acetamide
SMILESO=C(CF)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7FN2O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H,10,12)
InChIKeyFTOKDDXGHSEOAJ-UHFFFAOYSA-N
MW198.15 g/mol
LogP1.50
Rot. Bonds3

About 2-fluoro-N-(4-nitrophenyl)acetamide

2-fluoro-N-(4-nitrophenyl)acetamide (PubChem CID 9726) has the molecular formula C8H7FN2O3 and a molecular weight of 198.15 g/mol. Its IUPAC name is 2-fluoro-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-fluoro-N-(4-nitrophenyl)acetamide
PubChem CID9726
Molecular FormulaC8H7FN2O3
Molecular Weight198.15 g/mol
Exact Mass198.04
IUPAC Name2-fluoro-N-(4-nitrophenyl)acetamide
SMILESO=C(CF)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7FN2O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H,10,12)
InChIKeyFTOKDDXGHSEOAJ-UHFFFAOYSA-N
XLogP1.50
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-N-(4-nitrophenyl)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 2-fluoro-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-fluoro-N-(4-nitrophenyl)acetamide (CID 9726) is 2-fluoro-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-fluoro-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-fluoro-N-(4-nitrophenyl)acetamide is O=C(CF)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-fluoro-N-(4-nitrophenyl)acetamide?
The InChIKey is FTOKDDXGHSEOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H,10,12).
What are the key properties of 2-fluoro-N-(4-nitrophenyl)acetamide?
2-fluoro-N-(4-nitrophenyl)acetamide has a molecular weight of 198.15 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 9726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).