ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate

C19H16FNO4 — CID 54707734

IUPACethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H16FNO4/c1-2-25-19(24)15-16(12-8-10-13(20)11-9-12)21(18(23)17(15)22)14-6-4-3-5-7-14/h3-11,16,22H,2H2,1H3
InChIKeyPGPFPWDCRONTNN-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.29
Rot. Bonds4

About ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate

ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate (PubChem CID 54707734) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
PubChem CID54707734
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Nameethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H16FNO4/c1-2-25-19(24)15-16(12-8-10-13(20)11-9-12)21(18(23)17(15)22)14-6-4-3-5-7-14/h3-11,16,22H,2H2,1H3
InChIKeyPGPFPWDCRONTNN-UHFFFAOYSA-N
XLogP3.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate 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 ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate (CID 54707734) is ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate?
The InChIKey is PGPFPWDCRONTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-2-25-19(24)15-16(12-8-10-13(20)11-9-12)21(18(23)17(15)22)14-6-4-3-5-7-14/h3-11,16,22H,2H2,1H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate?
ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate has a molecular weight of 341.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 54707734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).