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

C20H18ClNO4 — CID 54739891

IUPACethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO4/c1-3-26-20(25)16-17(13-6-8-14(21)9-7-13)22(19(24)18(16)23)15-10-4-12(2)5-11-15/h4-11,17,23H,3H2,1-2H3/t17-/m1/s1
InChIKeyGFOFXQXMRNMTAV-QGZVFWFLSA-N
MW371.82 g/mol
LogP4.11
Rot. Bonds4

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

ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 54739891) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID54739891
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Nameethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO4/c1-3-26-20(25)16-17(13-6-8-14(21)9-7-13)22(19(24)18(16)23)15-10-4-12(2)5-11-15/h4-11,17,23H,3H2,1-2H3/t17-/m1/s1
InChIKeyGFOFXQXMRNMTAV-QGZVFWFLSA-N
XLogP4.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylate
CID 102130026
ethyl 1-(4-chlorophenyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 69499183
1,2-bis(4-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774317
1-(4-chlorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108582601
ethyl 4-hydroxy-5-oxo-2-phenyl-1-(4-sulfamoylphenyl)-2H-pyrrole-3-carboxylate
CID 54679389
ethyl 4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-(4-sulfamoylphenyl)-2H-pyrrole-3-carboxylate
CID 54676164
3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 3124166
ethyl (2R)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-1-phenyl-2H-pyrrole-3-carboxylate
CID 54726189
1-(4-chlorophenyl)-2-(4-ethylphenyl)-4-hydroxy-3-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 53017617
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 2868511
2-(3,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108680275
1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774338

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate (CID 54739891) is ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate is CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is GFOFXQXMRNMTAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-3-26-20(25)16-17(13-6-8-14(21)9-7-13)22(19(24)18(16)23)15-10-4-12(2)5-11-15/h4-11,17,23H,3H2,1-2H3/t17-/m1/s1.
What are the key properties of ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate?
ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 371.82 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 54739891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).