N-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide

C12H13BrN2O2 — CID 2294517

IUPACN-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1ccccc1Br)C(=O)N1CCCC1
InChIInChI=1S/C12H13BrN2O2/c13-9-5-1-2-6-10(9)14-11(16)12(17)15-7-3-4-8-15/h1-2,5-6H,3-4,7-8H2,(H,14,16)
InChIKeyQTUKWOMGGZOGKO-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.01
Rot. Bonds1

About N-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide

N-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 2294517) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID2294517
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC NameN-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1ccccc1Br)C(=O)N1CCCC1
InChIInChI=1S/C12H13BrN2O2/c13-9-5-1-2-6-10(9)14-11(16)12(17)15-7-3-4-8-15/h1-2,5-6H,3-4,7-8H2,(H,14,16)
InChIKeyQTUKWOMGGZOGKO-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide 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

2'-Bromoacetanilide
CID 136416
N-(4-Bromophenyl)-2-(1-piperidinyl)acetamide
CID 326998
N-(4-fluorophenyl)-2-(pyrrolidin-1-yl)acetamide
CID 934518
2-amino-N-(4-bromophenyl)acetamide
CID 871334
N-(2-bromophenyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 2404945
N-(4-fluorophenyl)-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 9116461
N-(4-bromophenyl)-2-(pyrrolidin-1-yl)acetamide hydrochloride
CID 16195210
N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 9549367
N-(3-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 660492
N-Phenylpiracetam
CID 911019
2-(3-bromoanilino)-N-hydroxyacetamide
CID 145950151
N-(3-bromophenyl)-5-oxopyrrolidine-2-carboxamide
CID 3124662

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide (CID 2294517) is N-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(Nc1ccccc1Br)C(=O)N1CCCC1.
What is the InChIKey of N-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is QTUKWOMGGZOGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-9-5-1-2-6-10(9)14-11(16)12(17)15-7-3-4-8-15/h1-2,5-6H,3-4,7-8H2,(H,14,16).
What are the key properties of N-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
N-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 297.15 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2294517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).