2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide

C12H12Br2N2O2 — CID 113345292

IUPAC2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
SMILESO=C1CCC(CNC(=O)c2ccc(Br)cc2Br)N1
InChIInChI=1S/C12H12Br2N2O2/c13-7-1-3-9(10(14)5-7)12(18)15-6-8-2-4-11(17)16-8/h1,3,5,8H,2,4,6H2,(H,15,18)(H,16,17)
InChIKeyXAMDHFSUBFUSEG-UHFFFAOYSA-N
MW376.05 g/mol
LogP2.22
Rot. Bonds3

About 2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide

2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide (PubChem CID 113345292) has the molecular formula C12H12Br2N2O2 and a molecular weight of 376.05 g/mol. Its IUPAC name is 2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
PubChem CID113345292
Molecular FormulaC12H12Br2N2O2
Molecular Weight376.05 g/mol
Exact Mass373.93
IUPAC Name2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
SMILESO=C1CCC(CNC(=O)c2ccc(Br)cc2Br)N1
InChIInChI=1S/C12H12Br2N2O2/c13-7-1-3-9(10(14)5-7)12(18)15-6-8-2-4-11(17)16-8/h1,3,5,8H,2,4,6H2,(H,15,18)(H,16,17)
InChIKeyXAMDHFSUBFUSEG-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.05
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide 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

4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-sulfanylbenzamide
CID 107030755
4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 103925282
3,5-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103908657
2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide
CID 114018481
4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103873189
3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103827007
2-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]-5-sulfanylbenzamide
CID 107030749
2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 80711647
3-amino-2,5-difluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 107121122
4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 110732273
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide
CID 107940139

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide (CID 113345292) is 2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide is O=C1CCC(CNC(=O)c2ccc(Br)cc2Br)N1.
What is the InChIKey of 2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The InChIKey is XAMDHFSUBFUSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O2/c13-7-1-3-9(10(14)5-7)12(18)15-6-8-2-4-11(17)16-8/h1,3,5,8H,2,4,6H2,(H,15,18)(H,16,17).
What are the key properties of 2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide has a molecular weight of 376.05 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 113345292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).