4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one

C17H14FNO3 — CID 57445406

IUPAC4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one
SMILESO=C(c1ccccc1)C1CC(=O)N(c2ccc(O)c(F)c2)C1
InChIInChI=1S/C17H14FNO3/c18-14-9-13(6-7-15(14)20)19-10-12(8-16(19)21)17(22)11-4-2-1-3-5-11/h1-7,9,12,20H,8,10H2
InChIKeyWXAJTXBSTYMUME-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.77
Rot. Bonds3

About 4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one

4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one (PubChem CID 57445406) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one
PubChem CID57445406
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one
SMILESO=C(c1ccccc1)C1CC(=O)N(c2ccc(O)c(F)c2)C1
InChIInChI=1S/C17H14FNO3/c18-14-9-13(6-7-15(14)20)19-10-12(8-16(19)21)17(22)11-4-2-1-3-5-11/h1-7,9,12,20H,8,10H2
InChIKeyWXAJTXBSTYMUME-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2304169
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one
CID 168508834
(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50873913
(3S)-1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076115
1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691750
1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873905
1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696566
(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 6935573
1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17225348
(3S)-1-(4-chloro-3-fluorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 124591586

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one (CID 57445406) is 4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one is O=C(c1ccccc1)C1CC(=O)N(c2ccc(O)c(F)c2)C1.
What is the InChIKey of 4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one?
The InChIKey is WXAJTXBSTYMUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c18-14-9-13(6-7-15(14)20)19-10-12(8-16(19)21)17(22)11-4-2-1-3-5-11/h1-7,9,12,20H,8,10H2.
What are the key properties of 4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one?
4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one has a molecular weight of 299.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 57445406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).