2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide

C19H19BrN2O4 — CID 86882518

IUPAC2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CN1C(=O)CC(C)(c2ccc(Br)cc2)C1=O)c1ccco1
InChIInChI=1S/C19H19BrN2O4/c1-12(15-4-3-9-26-15)21-16(23)11-22-17(24)10-19(2,18(22)25)13-5-7-14(20)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyOPQCEQZFYCPQAP-UHFFFAOYSA-N
MW419.28 g/mol
LogP2.94
Rot. Bonds5

About 2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide

2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide (PubChem CID 86882518) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide
PubChem CID86882518
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CN1C(=O)CC(C)(c2ccc(Br)cc2)C1=O)c1ccco1
InChIInChI=1S/C19H19BrN2O4/c1-12(15-4-3-9-26-15)21-16(23)11-22-17(24)10-19(2,18(22)25)13-5-7-14(20)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyOPQCEQZFYCPQAP-UHFFFAOYSA-N
XLogP2.94
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide 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-(1,3-dioxoisoindol-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9017578
methyl 4-[[2-[(3S)-3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]acetyl]amino]benzoate
CID 95788796
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide
CID 95322694
N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 102604049
2-(2-amino-5-bromophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 79533347
2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8856625
N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9482186
N-[1-(furan-2-yl)ethyl]-2-piperazin-1-ylacetamide
CID 43162415
4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide
CID 9481980
4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide
CID 9481896
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8570970
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide (CID 86882518) is 2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide is CC(NC(=O)CN1C(=O)CC(C)(c2ccc(Br)cc2)C1=O)c1ccco1.
What is the InChIKey of 2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide?
The InChIKey is OPQCEQZFYCPQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-12(15-4-3-9-26-15)21-16(23)11-22-17(24)10-19(2,18(22)25)13-5-7-14(20)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide?
2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide has a molecular weight of 419.28 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]-N-[1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 86882518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).