methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate

C19H16FNO4 — CID 54736168

IUPACmethyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H16FNO4/c1-25-19(24)15-16(13-7-9-14(20)10-8-13)21(18(23)17(15)22)11-12-5-3-2-4-6-12/h2-10,16,22H,11H2,1H3
InChIKeyUVVNZTRDFWFMKW-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.89
Rot. Bonds4

About methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate

methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate (PubChem CID 54736168) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
PubChem CID54736168
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Namemethyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H16FNO4/c1-25-19(24)15-16(13-7-9-14(20)10-8-13)21(18(23)17(15)22)11-12-5-3-2-4-6-12/h2-10,16,22H,11H2,1H3
InChIKeyUVVNZTRDFWFMKW-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
The IUPAC name of methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate (CID 54736168) is methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate is COC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccc(F)cc1.
What is the InChIKey of methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
The InChIKey is UVVNZTRDFWFMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-25-19(24)15-16(13-7-9-14(20)10-8-13)21(18(23)17(15)22)11-12-5-3-2-4-6-12/h2-10,16,22H,11H2,1H3.
What are the key properties of methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate?
methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate has a molecular weight of 341.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 54736168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).