N-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C13H13BrN2O3 — CID 2523069

IUPACN-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C13H13BrN2O3/c1-8-6-9(14)2-3-10(8)15-11(17)7-16-12(18)4-5-13(16)19/h2-3,6H,4-5,7H2,1H3,(H,15,17)
InChIKeyRZSXNVKVRDVWKN-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.85
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 2523069) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID2523069
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C13H13BrN2O3/c1-8-6-9(14)2-3-10(8)15-11(17)7-16-12(18)4-5-13(16)19/h2-3,6H,4-5,7H2,1H3,(H,15,17)
InChIKeyRZSXNVKVRDVWKN-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.85
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 N-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 2523069) is N-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is Cc1cc(Br)ccc1NC(=O)CN1C(=O)CCC1=O.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is RZSXNVKVRDVWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-8-6-9(14)2-3-10(8)15-11(17)7-16-12(18)4-5-13(16)19/h2-3,6H,4-5,7H2,1H3,(H,15,17).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 325.16 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 2523069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).