4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide

C15H9BrN2O3 — CID 824400

IUPAC4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1
InChIInChI=1S/C15H9BrN2O3/c16-10-7-5-9(6-8-10)13(19)17-18-14(20)11-3-1-2-4-12(11)15(18)21/h1-8H,(H,17,19)
InChIKeyPZDBJZSNUZNOSB-UHFFFAOYSA-N
MW345.15 g/mol
LogP2.39
Rot. Bonds2

About 4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide

4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 824400) has the molecular formula C15H9BrN2O3 and a molecular weight of 345.15 g/mol. Its IUPAC name is 4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID824400
Molecular FormulaC15H9BrN2O3
Molecular Weight345.15 g/mol
Exact Mass343.98
IUPAC Name4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1
InChIInChI=1S/C15H9BrN2O3/c16-10-7-5-9(6-8-10)13(19)17-18-14(20)11-3-1-2-4-12(11)15(18)21/h1-8H,(H,17,19)
InChIKeyPZDBJZSNUZNOSB-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.15
LogP ≤ 52.39
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 4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide (CID 824400) is 4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide is O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is PZDBJZSNUZNOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN2O3/c16-10-7-5-9(6-8-10)13(19)17-18-14(20)11-3-1-2-4-12(11)15(18)21/h1-8H,(H,17,19).
What are the key properties of 4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide?
4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 345.15 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 824400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).