2-chloro-2-fluoro-N-pyrrol-1-ylacetamide

C6H6ClFN2O — CID 166430926

IUPAC2-chloro-2-fluoro-N-pyrrol-1-ylacetamide
SMILESO=C(Nn1cccc1)C(F)Cl
InChIInChI=1S/C6H6ClFN2O/c7-5(8)6(11)9-10-3-1-2-4-10/h1-5H,(H,9,11)
InChIKeyXQWIBQYNDMOXFP-UHFFFAOYSA-N
MW176.58 g/mol
LogP1.09
Rot. Bonds2

About 2-chloro-2-fluoro-N-pyrrol-1-ylacetamide

2-chloro-2-fluoro-N-pyrrol-1-ylacetamide (PubChem CID 166430926) has the molecular formula C6H6ClFN2O and a molecular weight of 176.58 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-pyrrol-1-ylacetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-pyrrol-1-ylacetamide
PubChem CID166430926
Molecular FormulaC6H6ClFN2O
Molecular Weight176.58 g/mol
Exact Mass176.02
IUPAC Name2-chloro-2-fluoro-N-pyrrol-1-ylacetamide
SMILESO=C(Nn1cccc1)C(F)Cl
InChIInChI=1S/C6H6ClFN2O/c7-5(8)6(11)9-10-3-1-2-4-10/h1-5H,(H,9,11)
InChIKeyXQWIBQYNDMOXFP-UHFFFAOYSA-N
XLogP1.09
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.58
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-2-fluoro-N-pyrrol-1-ylacetamide 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-chloro-2-fluoro-N-pyrrol-1-ylacetamide?
The IUPAC name of 2-chloro-2-fluoro-N-pyrrol-1-ylacetamide (CID 166430926) is 2-chloro-2-fluoro-N-pyrrol-1-ylacetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-pyrrol-1-ylacetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-pyrrol-1-ylacetamide is O=C(Nn1cccc1)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-pyrrol-1-ylacetamide?
The InChIKey is XQWIBQYNDMOXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O/c7-5(8)6(11)9-10-3-1-2-4-10/h1-5H,(H,9,11).
What are the key properties of 2-chloro-2-fluoro-N-pyrrol-1-ylacetamide?
2-chloro-2-fluoro-N-pyrrol-1-ylacetamide has a molecular weight of 176.58 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-pyrrol-1-ylacetamide is sourced from PubChem (CID 166430926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).