N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide

C11H11ClN2O4 — CID 142448486

IUPACN-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NOc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O4/c12-6-1-3-7(4-2-6)18-14-11(17)9-8(15)5-13-10(9)16/h1-4,8-9,15H,5H2,(H,13,16)(H,14,17)
InChIKeyRROSGJBAFHNHIH-UHFFFAOYSA-N
MW270.67 g/mol
LogP-0.14
Rot. Bonds3

About N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide

N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide (PubChem CID 142448486) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
PubChem CID142448486
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC NameN-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
SMILESO=C1NCC(O)C1C(=O)NOc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O4/c12-6-1-3-7(4-2-6)18-14-11(17)9-8(15)5-13-10(9)16/h1-4,8-9,15H,5H2,(H,13,16)(H,14,17)
InChIKeyRROSGJBAFHNHIH-UHFFFAOYSA-N
XLogP-0.14
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide (CID 142448486) is N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide is O=C1NCC(O)C1C(=O)NOc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
The InChIKey is RROSGJBAFHNHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c12-6-1-3-7(4-2-6)18-14-11(17)9-8(15)5-13-10(9)16/h1-4,8-9,15H,5H2,(H,13,16)(H,14,17).
What are the key properties of N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide?
N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide has a molecular weight of 270.67 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 142448486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).