4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide

C12H10BrClN2O3 — CID 81307054

IUPAC4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
SMILESCN1C(=O)CC(NC(=O)c2ccc(Br)c(Cl)c2)C1=O
InChIInChI=1S/C12H10BrClN2O3/c1-16-10(17)5-9(12(16)19)15-11(18)6-2-3-7(13)8(14)4-6/h2-4,9H,5H2,1H3,(H,15,18)
InChIKeyNFOBRIYBWCZSJR-UHFFFAOYSA-N
MW345.58 g/mol
LogP1.59
Rot. Bonds2

About 4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide

4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide (PubChem CID 81307054) has the molecular formula C12H10BrClN2O3 and a molecular weight of 345.58 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
PubChem CID81307054
Molecular FormulaC12H10BrClN2O3
Molecular Weight345.58 g/mol
Exact Mass343.96
IUPAC Name4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide
SMILESCN1C(=O)CC(NC(=O)c2ccc(Br)c(Cl)c2)C1=O
InChIInChI=1S/C12H10BrClN2O3/c1-16-10(17)5-9(12(16)19)15-11(18)6-2-3-7(13)8(14)4-6/h2-4,9H,5H2,1H3,(H,15,18)
InChIKeyNFOBRIYBWCZSJR-UHFFFAOYSA-N
XLogP1.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.58
LogP ≤ 51.59
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

N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712504
4-bromo-3-chloro-N-cyclopent-3-en-1-ylbenzamide
CID 115703314
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 107853184
4-bromo-3-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 80998387
4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376
4-bromo-3-chloro-N-(2-ethylcyclopropyl)benzamide
CID 103773539
5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid
CID 104607694
3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736500
3-(2-bromo-4-chloroanilino)-1-methylpyrrolidine-2,5-dione
CID 81271487
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
CID 81308175
N-(1-adamantyl)-4-bromo-3-chlorobenzamide
CID 81295141

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide (CID 81307054) is 4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide is CN1C(=O)CC(NC(=O)c2ccc(Br)c(Cl)c2)C1=O.
What is the InChIKey of 4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide?
The InChIKey is NFOBRIYBWCZSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O3/c1-16-10(17)5-9(12(16)19)15-11(18)6-2-3-7(13)8(14)4-6/h2-4,9H,5H2,1H3,(H,15,18).
What are the key properties of 4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide?
4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide has a molecular weight of 345.58 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 81307054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).