N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C12H11BrN2O3 — CID 2083990

IUPACN-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O3/c13-8-1-3-9(4-2-8)14-10(16)7-15-11(17)5-6-12(15)18/h1-4H,5-7H2,(H,14,16)
InChIKeyAIRNVSMLCFKUHW-UHFFFAOYSA-N
MW311.13 g/mol
LogP1.54
Rot. Bonds3

About N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 2083990) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.13 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID2083990
Molecular FormulaC12H11BrN2O3
Molecular Weight311.13 g/mol
Exact Mass310.00
IUPAC NameN-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O3/c13-8-1-3-9(4-2-8)14-10(16)7-15-11(17)5-6-12(15)18/h1-4H,5-7H2,(H,14,16)
InChIKeyAIRNVSMLCFKUHW-UHFFFAOYSA-N
XLogP1.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Bromophenyl)pyrrolidin-2-one
CID 736110
N-(4-Bromophenyl)succinimide
CID 265738
N-(4-Bromophenyl)-2-(1-piperidinyl)acetamide
CID 326998
2-amino-N-(4-bromophenyl)acetamide
CID 871334
Bromamid
CID 68839
N-(3-Bromophenyl)succinimide
CID 2757162
N-(4-bromophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 16195210
4-[1-(4-Bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carbaldehyde
CID 648829
[1-(4-Bromo-phenyl)-2,5-dioxo-pyrrolidin-3-ylamino]-acetic acid ethyl ester
CID 2833569
N-(4-bromophenyl)-3-pyrrolidin-1-ylpropanamide;hydrochloride
CID 9549367
N-(3-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 660492
N-Phenylpiracetam
CID 911019

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 2083990) is N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is AIRNVSMLCFKUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c13-8-1-3-9(4-2-8)14-10(16)7-15-11(17)5-6-12(15)18/h1-4H,5-7H2,(H,14,16).
What are the key properties of N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 311.13 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 2083990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).