1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one

C23H18FNO2 — CID 72546125

IUPAC1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one
SMILESO=C1C(c2ccc(F)cc2)=CC(O)(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H18FNO2/c24-20-13-11-18(12-14-20)21-15-23(27,19-9-5-2-6-10-19)25(22(21)26)16-17-7-3-1-4-8-17/h1-15,27H,16H2
InChIKeyAEBUOOYMVDTVHE-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.10
Rot. Bonds4

About 1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one

1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one (PubChem CID 72546125) has the molecular formula C23H18FNO2 and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one.

Molecular Properties

Compound Name1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one
PubChem CID72546125
Molecular FormulaC23H18FNO2
Molecular Weight359.40 g/mol
Exact Mass359.13
IUPAC Name1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one
SMILESO=C1C(c2ccc(F)cc2)=CC(O)(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H18FNO2/c24-20-13-11-18(12-14-20)21-15-23(27,19-9-5-2-6-10-19)25(22(21)26)16-17-7-3-1-4-8-17/h1-15,27H,16H2
InChIKeyAEBUOOYMVDTVHE-UHFFFAOYSA-N
XLogP4.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one?
The IUPAC name of 1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one (CID 72546125) is 1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one.
What is the SMILES notation for 1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one?
The canonical SMILES for 1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one is O=C1C(c2ccc(F)cc2)=CC(O)(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one?
The InChIKey is AEBUOOYMVDTVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO2/c24-20-13-11-18(12-14-20)21-15-23(27,19-9-5-2-6-10-19)25(22(21)26)16-17-7-3-1-4-8-17/h1-15,27H,16H2.
What are the key properties of 1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one?
1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one has a molecular weight of 359.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-fluorophenyl)-5-hydroxy-5-phenylpyrrol-2-one is sourced from PubChem (CID 72546125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).