2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide

C14H11F3N2O2 — CID 3762343

IUPAC2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCn1cccc1C(=O)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H11F3N2O2/c1-19-8-4-7-11(19)12(20)13(21)18-10-6-3-2-5-9(10)14(15,16)17/h2-8H,1H3,(H,18,21)
InChIKeyBAOVHFOWXUGINJ-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.87
Rot. Bonds3

About 2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide

2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 3762343) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID3762343
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCn1cccc1C(=O)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H11F3N2O2/c1-19-8-4-7-11(19)12(20)13(21)18-10-6-3-2-5-9(10)14(15,16)17/h2-8H,1H3,(H,18,21)
InChIKeyBAOVHFOWXUGINJ-UHFFFAOYSA-N
XLogP2.87
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]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-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide (CID 3762343) is 2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide is Cn1cccc1C(=O)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BAOVHFOWXUGINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-19-8-4-7-11(19)12(20)13(21)18-10-6-3-2-5-9(10)14(15,16)17/h2-8H,1H3,(H,18,21).
What are the key properties of 2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 296.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-2-oxo-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3762343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).