2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide

C15H17FN2O2 — CID 53147947

IUPAC2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1cccn1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2/c1-20-10-8-17-15(19)11-14-3-2-9-18(14)13-6-4-12(16)5-7-13/h2-7,9H,8,10-11H2,1H3,(H,17,19)
InChIKeyJQGPNNROUKLMSA-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.92
Rot. Bonds6

About 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide

2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 53147947) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide
PubChem CID53147947
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1cccn1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2/c1-20-10-8-17-15(19)11-14-3-2-9-18(14)13-6-4-12(16)5-7-13/h2-7,9H,8,10-11H2,1H3,(H,17,19)
InChIKeyJQGPNNROUKLMSA-UHFFFAOYSA-N
XLogP1.92
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)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-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide (CID 53147947) is 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1cccn1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is JQGPNNROUKLMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-20-10-8-17-15(19)11-14-3-2-9-18(14)13-6-4-12(16)5-7-13/h2-7,9H,8,10-11H2,1H3,(H,17,19).
What are the key properties of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide?
2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 276.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 53147947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).