2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide

C13H12Br2N2O3 — CID 114372512

IUPAC2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
SMILESCN1C(=O)CCC(NC(=O)c2cc(Br)ccc2Br)C1=O
InChIInChI=1S/C13H12Br2N2O3/c1-17-11(18)5-4-10(13(17)20)16-12(19)8-6-7(14)2-3-9(8)15/h2-3,6,10H,4-5H2,1H3,(H,16,19)
InChIKeyFISFRCFOIFXREU-UHFFFAOYSA-N
MW404.06 g/mol
LogP2.09
Rot. Bonds2

About 2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide

2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide (PubChem CID 114372512) has the molecular formula C13H12Br2N2O3 and a molecular weight of 404.06 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
PubChem CID114372512
Molecular FormulaC13H12Br2N2O3
Molecular Weight404.06 g/mol
Exact Mass401.92
IUPAC Name2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
SMILESCN1C(=O)CCC(NC(=O)c2cc(Br)ccc2Br)C1=O
InChIInChI=1S/C13H12Br2N2O3/c1-17-11(18)5-4-10(13(17)20)16-12(19)8-6-7(14)2-3-9(8)15/h2-3,6,10H,4-5H2,1H3,(H,16,19)
InChIKeyFISFRCFOIFXREU-UHFFFAOYSA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.06
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide?
The IUPAC name of 2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide (CID 114372512) is 2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide is CN1C(=O)CCC(NC(=O)c2cc(Br)ccc2Br)C1=O.
What is the InChIKey of 2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide?
The InChIKey is FISFRCFOIFXREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O3/c1-17-11(18)5-4-10(13(17)20)16-12(19)8-6-7(14)2-3-9(8)15/h2-3,6,10H,4-5H2,1H3,(H,16,19).
What are the key properties of 2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide?
2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide has a molecular weight of 404.06 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide is sourced from PubChem (CID 114372512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).