N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide

C13H15BrN2O2 — CID 47335620

IUPACN-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCCC2)c(Br)c1
InChIInChI=1S/C13H15BrN2O2/c1-9-4-5-11(10(14)8-9)15-12(17)13(18)16-6-2-3-7-16/h4-5,8H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyLJLZKCFGZPHEJU-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.32
Rot. Bonds1

About N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide

N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 47335620) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID47335620
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC NameN-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCCC2)c(Br)c1
InChIInChI=1S/C13H15BrN2O2/c1-9-4-5-11(10(14)8-9)15-12(17)13(18)16-6-2-3-7-16/h4-5,8H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyLJLZKCFGZPHEJU-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505760
N-(2,4-difluorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47109120
N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507375
N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121268
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(2-bromo-4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927390
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-oxo-2-pyrrolidin-1-ylacetohydrazide
CID 3911009
methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 113008293
N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
CID 108506932
N-(2-bromo-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 113103375
1-(2-bromo-4-methylphenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992513
(2S)-N-(2-bromo-4-methylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30739088

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide (CID 47335620) is N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide is Cc1ccc(NC(=O)C(=O)N2CCCC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is LJLZKCFGZPHEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-9-4-5-11(10(14)8-9)15-12(17)13(18)16-6-2-3-7-16/h4-5,8H,2-3,6-7H2,1H3,(H,15,17).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 311.18 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 47335620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).