1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione

C17H16N2O3 — CID 2837843

IUPAC1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(N(O)c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H16N2O3/c20-16-11-15(19(22)14-9-5-2-6-10-14)17(21)18(16)12-13-7-3-1-4-8-13/h1-10,15,22H,11-12H2
InChIKeyYFZRDVZHJUQWJO-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.21
Rot. Bonds4

About 1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione

1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (PubChem CID 2837843) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
PubChem CID2837843
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(N(O)c2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H16N2O3/c20-16-11-15(19(22)14-9-5-2-6-10-14)17(21)18(16)12-13-7-3-1-4-8-13/h1-10,15,22H,11-12H2
InChIKeyYFZRDVZHJUQWJO-UHFFFAOYSA-N
XLogP2.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.21
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'}

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Related Compounds

N-Phenyl-2-piperidinosuccinimide
CID 250855
1-[2-oxo-2-(2,2,4-trimethyl-1(2H)-quinolinyl)ethyl]-2,5-pyrrolidinedione
CID 713603
1-[2-(3,4-Dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-pyrrolidine-2,5-dione
CID 775593
3-[(4-Fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 2877115
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
CID 3719436
3-Anilino-1-phenylsuccinimide
CID 2792660
1-(4-bromophenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidine-2,5-dione
CID 5285474
1-(m-Trifluorophenyl)piperazine, 4
CID 11292754
1-(2-Fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 2867506
1-(4-Methylphenyl)-3-[(4-methylphenyl)amino]-2,5-pyrrolidinedione
CID 2927700
N1-phenyl-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806925
3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2833555

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (CID 2837843) is 1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is O=C1CC(N(O)c2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The InChIKey is YFZRDVZHJUQWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-16-11-15(19(22)14-9-5-2-6-10-14)17(21)18(16)12-13-7-3-1-4-8-13/h1-10,15,22H,11-12H2.
What are the key properties of 1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione has a molecular weight of 296.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 2837843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).