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

C19H15ClFNO4 — CID 69499183

IUPACethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1c1cccc(F)c1
InChIInChI=1S/C19H15ClFNO4/c1-2-26-19(25)15-16(11-4-3-5-13(21)10-11)22(18(24)17(15)23)14-8-6-12(20)7-9-14/h3-10,16,23H,2H2,1H3
InChIKeyPJLMLVDTJIIPRZ-UHFFFAOYSA-N
MW375.78 g/mol
LogP3.94
Rot. Bonds4

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

ethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 69499183) has the molecular formula C19H15ClFNO4 and a molecular weight of 375.78 g/mol. Its IUPAC name is ethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID69499183
Molecular FormulaC19H15ClFNO4
Molecular Weight375.78 g/mol
Exact Mass375.07
IUPAC Nameethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1c1cccc(F)c1
InChIInChI=1S/C19H15ClFNO4/c1-2-26-19(25)15-16(11-4-3-5-13(21)10-11)22(18(24)17(15)23)14-8-6-12(20)7-9-14/h3-10,16,23H,2H2,1H3
InChIKeyPJLMLVDTJIIPRZ-UHFFFAOYSA-N
XLogP3.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 54739891
ethyl 4-hydroxy-5-oxo-2-phenyl-1-(4-sulfamoylphenyl)-2H-pyrrole-3-carboxylate
CID 54679389
ethyl 4-hydroxy-2-(3-nitrophenyl)-5-oxo-1-(4-sulfamoylphenyl)-2H-pyrrole-3-carboxylate
CID 54686983
ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate
CID 102130026
ethyl 4-[(4R)-4-(3-fluorophenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 1401086
ethyl 4-[(4S)-4-(3-fluorophenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 1401085
1-(3-fluorophenyl)-4-hydroxy-2-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108618551
ethyl (2S)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
CID 54737892
ethyl (2R,5S)-2-ethyl-5-(3-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2143184
1-(3-chloro-4-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108666475
ethyl 4-[(2S)-2-(3-fluorophenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate
CID 1112578
1-(4-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108577109

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate (CID 69499183) is ethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1c1cccc(F)c1.
What is the InChIKey of ethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is PJLMLVDTJIIPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO4/c1-2-26-19(25)15-16(11-4-3-5-13(21)10-11)22(18(24)17(15)23)14-8-6-12(20)7-9-14/h3-10,16,23H,2H2,1H3.
What are the key properties of ethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
ethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 375.78 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 69499183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).