5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide

C14H12BrN3O4 — CID 167342093

IUPAC5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
SMILESNC(=O)c1c(Br)ccc2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H12BrN3O4/c15-7-2-1-6-5-18(8-3-4-9(19)17-13(8)21)14(22)10(6)11(7)12(16)20/h1-2,8H,3-5H2,(H2,16,20)(H,17,19,21)
InChIKeyDXIZSUHQUINYBD-UHFFFAOYSA-N
MW366.17 g/mol
LogP0.31
Rot. Bonds2

About 5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide

5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 167342093) has the molecular formula C14H12BrN3O4 and a molecular weight of 366.17 g/mol. Its IUPAC name is 5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID167342093
Molecular FormulaC14H12BrN3O4
Molecular Weight366.17 g/mol
Exact Mass365.00
IUPAC Name5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide
SMILESNC(=O)c1c(Br)ccc2c1C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H12BrN3O4/c15-7-2-1-6-5-18(8-3-4-9(19)17-13(8)21)14(22)10(6)11(7)12(16)20/h1-2,8H,3-5H2,(H2,16,20)(H,17,19,21)
InChIKeyDXIZSUHQUINYBD-UHFFFAOYSA-N
XLogP0.31
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.17
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-4-cyclopropyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342219
3-[4-bromo-3-oxo-5-(trifluoromethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342479
3-[4-bromo-5-(bromomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168871651
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342511
4-chloro-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile
CID 167342017
2-(2,6-dioxopiperidin-3-yl)-4-methoxy-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342404
3-(4-bromo-6-cyclopropyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342291
2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-(trifluoromethyl)-3H-isoindole-4-carboxamide
CID 167342255
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
3-[5-(dimethylamino)-4-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167342441
3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342225
2-(2,6-dioxopiperidin-3-yl)-1-oxo-7-(trifluoromethyl)-3H-isoindole-5-carboxylic acid
CID 167342426

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of 5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide (CID 167342093) is 5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for 5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for 5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide is NC(=O)c1c(Br)ccc2c1C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is DXIZSUHQUINYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O4/c15-7-2-1-6-5-18(8-3-4-9(19)17-13(8)21)14(22)10(6)11(7)12(16)20/h1-2,8H,3-5H2,(H2,16,20)(H,17,19,21).
What are the key properties of 5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide?
5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 366.17 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 167342093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).