N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide

C11H13BrN2O2 — CID 79466936

IUPACN-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(N)=O)cc1Br
InChIInChI=1S/C11H13BrN2O2/c1-7-3-4-8(5-9(7)12)11(16)14(2)6-10(13)15/h3-5H,6H2,1-2H3,(H2,13,15)
InChIKeyRXHVQOZVQMMPOZ-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.31
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide

N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide (PubChem CID 79466936) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide
PubChem CID79466936
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(N)=O)cc1Br
InChIInChI=1S/C11H13BrN2O2/c1-7-3-4-8(5-9(7)12)11(16)14(2)6-10(13)15/h3-5H,6H2,1-2H3,(H2,13,15)
InChIKeyRXHVQOZVQMMPOZ-UHFFFAOYSA-N
XLogP1.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide 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

N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 81472236
3-bromo-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 81458308
3-bromo-N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454891
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
4-[(2-amino-2-oxoethyl)-methylcarbamoyl]benzoic acid
CID 43452627
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81472234
3-bromo-N-(2-cyanopropyl)-N,4-dimethylbenzamide
CID 79467465
3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 79466930
N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide
CID 107951195

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide (CID 79466936) is N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CC(N)=O)cc1Br.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide?
The InChIKey is RXHVQOZVQMMPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-7-3-4-8(5-9(7)12)11(16)14(2)6-10(13)15/h3-5H,6H2,1-2H3,(H2,13,15).
What are the key properties of N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide?
N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide has a molecular weight of 285.14 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide is sourced from PubChem (CID 79466936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).