(3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione

C16H13FN2O3 — CID 931022

IUPAC(3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N(O)c2ccccc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O3/c17-11-6-8-12(9-7-11)18-15(20)10-14(16(18)21)19(22)13-4-2-1-3-5-13/h1-9,14,22H,10H2/t14-/m0/s1
InChIKeyUCWJWTGNWUWBIX-AWEZNQCLSA-N
MW300.29 g/mol
LogP2.35
Rot. Bonds3

About (3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione

(3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (PubChem CID 931022) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
PubChem CID931022
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name(3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N(O)c2ccccc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O3/c17-11-6-8-12(9-7-11)18-15(20)10-14(16(18)21)19(22)13-4-2-1-3-5-13/h1-9,14,22H,10H2/t14-/m0/s1
InChIKeyUCWJWTGNWUWBIX-AWEZNQCLSA-N
XLogP2.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione 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-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 930931
3-(N-hydroxyanilino)-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
CID 662103
1-(2,6-dimethylphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 662096
(3S)-3-(N-hydroxyanilino)-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 7493754
(3R)-1-(2-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 732451
4-[3-(N-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827252
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 23944483
4-[[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)amino]-4-oxobutanoic acid
CID 7013740
4-[3-(N-ethylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827253
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-(1-phenylethyl)acetamide
CID 23915141
1-(4-bromophenyl)-3-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-hydroxyamino]pyrrolidine-2,5-dione
CID 3777582
1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
CID 4038274

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (CID 931022) is (3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is O=C1C[C@H](N(O)c2ccccc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The InChIKey is UCWJWTGNWUWBIX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-11-6-8-12(9-7-11)18-15(20)10-14(16(18)21)19(22)13-4-2-1-3-5-13/h1-9,14,22H,10H2/t14-/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
(3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione has a molecular weight of 300.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 931022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).