[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate

C14H11Cl2NO3 — CID 2561510

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C14H11Cl2NO3/c15-10-4-3-9(6-11(10)16)7-14(19)20-8-13(18)12-2-1-5-17-12/h1-6,17H,7-8H2
InChIKeySANLNMRARYGAFR-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.29
Rot. Bonds5

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 2561510) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate
PubChem CID2561510
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C14H11Cl2NO3/c15-10-4-3-9(6-11(10)16)7-14(19)20-8-13(18)12-2-1-5-17-12/h1-6,17H,7-8H2
InChIKeySANLNMRARYGAFR-UHFFFAOYSA-N
XLogP3.29
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate 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-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate (CID 2561510) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate is O=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc[nH]1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate?
The InChIKey is SANLNMRARYGAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c15-10-4-3-9(6-11(10)16)7-14(19)20-8-13(18)12-2-1-5-17-12/h1-6,17H,7-8H2.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate has a molecular weight of 312.15 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 2561510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).