N-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C12H10BrClN2O3 — CID 2988266

IUPACN-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H10BrClN2O3/c13-8-2-1-7(5-9(8)14)15-10(17)6-16-11(18)3-4-12(16)19/h1-2,5H,3-4,6H2,(H,15,17)
InChIKeyPHPGJVVBBQONRE-UHFFFAOYSA-N
MW345.58 g/mol
LogP2.19
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 2988266) has the molecular formula C12H10BrClN2O3 and a molecular weight of 345.58 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID2988266
Molecular FormulaC12H10BrClN2O3
Molecular Weight345.58 g/mol
Exact Mass343.96
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H10BrClN2O3/c13-8-2-1-7(5-9(8)14)15-10(17)6-16-11(18)3-4-12(16)19/h1-2,5H,3-4,6H2,(H,15,17)
InChIKeyPHPGJVVBBQONRE-UHFFFAOYSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.58
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 156905882
N-(4-bromo-3-chlorophenyl)propanamide
CID 832651
N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 985716
N-(4-bromo-3-chlorophenyl)butanamide
CID 717694
N-(4-bromophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 2083990
N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-yl-3-pyrrolidinecarboxamide
CID 2952136
1-Pyrrolidineacetamide, N-(4-chlorophenyl)-2-oxo-
CID 3076739
1-[2-(4-Bromo-2-chloroanilino)acetyl]imidazolidin-2-one
CID 25465894
N-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 73357857
N-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 73357858
N-(3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 127045517
N-(4-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 127045518

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 2988266) is N-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is PHPGJVVBBQONRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O3/c13-8-2-1-7(5-9(8)14)15-10(17)6-16-11(18)3-4-12(16)19/h1-2,5H,3-4,6H2,(H,15,17).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 345.58 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 2988266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).