2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride

C11H15BrClNO2 — CID 44658058

IUPAC2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride
SMILESC[NH+](C)CCOC(=O)c1ccccc1Br.[Cl-]
InChIInChI=1S/C11H14BrNO2.ClH/c1-13(2)7-8-15-11(14)9-5-3-4-6-10(9)12;/h3-6H,7-8H2,1-2H3;1H
InChIKeyCFOOGAIPBABOIU-UHFFFAOYSA-N
MW308.60 g/mol
LogP-2.25
Rot. Bonds4

About 2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride

2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride (PubChem CID 44658058) has the molecular formula C11H15BrClNO2 and a molecular weight of 308.60 g/mol. Its IUPAC name is 2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride
PubChem CID44658058
Molecular FormulaC11H15BrClNO2
Molecular Weight308.60 g/mol
Exact Mass307.00
IUPAC Name2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride
SMILESC[NH+](C)CCOC(=O)c1ccccc1Br.[Cl-]
InChIInChI=1S/C11H14BrNO2.ClH/c1-13(2)7-8-15-11(14)9-5-3-4-6-10(9)12;/h3-6H,7-8H2,1-2H3;1H
InChIKeyCFOOGAIPBABOIU-UHFFFAOYSA-N
XLogP-2.25
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.60
LogP ≤ 5-2.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;propyl 2-bromobenzoate
CID 90697369
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 158146899
2,2-dimethylpropyl 2-bromobenzoate
CID 603297
4-(2-bromobenzoyl)oxy-2-methylidenebutanoic acid
CID 141440090
3-(2-methoxybenzoyl)oxypropyl-dimethylazanium chloride
CID 44655251
3-(dipropylamino)propyl 2-bromobenzoate;hydrochloride
CID 163330081
[2-(2-bromobenzoyl)oxy-2-methylpropyl] 2-bromobenzoate
CID 23126042
2-(2-bromo-2-phenylacetyl)oxyethyl-dimethylazanium chloride
CID 110193125
bis(4,4-dimethylpentyl) benzene-1,2-dicarboxylate
CID 69016024
[2-oxo-2-(propan-2-ylamino)ethyl] 2-bromobenzoate
CID 2416256
2-(2,2-diphenylacetyl)oxyethyl-dimethylazanium
CID 3553500
[(2R)-oxiran-2-yl]methyl 2-bromobenzoate
CID 39733858

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride?
The IUPAC name of 2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride (CID 44658058) is 2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride.
What is the SMILES notation for 2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride?
The canonical SMILES for 2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride is C[NH+](C)CCOC(=O)c1ccccc1Br.[Cl-].
What is the InChIKey of 2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride?
The InChIKey is CFOOGAIPBABOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2.ClH/c1-13(2)7-8-15-11(14)9-5-3-4-6-10(9)12;/h3-6H,7-8H2,1-2H3;1H.
What are the key properties of 2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride?
2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride has a molecular weight of 308.60 g/mol, XLogP of -2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromobenzoyl)oxyethyl-dimethylazanium chloride is sourced from PubChem (CID 44658058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).