3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide

C13H17BrN2O3 — CID 113460827

IUPAC3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide
SMILESCOCCNC(=O)CNC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H17BrN2O3/c1-9-5-10(7-11(14)6-9)13(18)16-8-12(17)15-3-4-19-2/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZIXOWYRQGDBYGZ-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.25
Rot. Bonds6

About 3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide

3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide (PubChem CID 113460827) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide
PubChem CID113460827
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide
SMILESCOCCNC(=O)CNC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H17BrN2O3/c1-9-5-10(7-11(14)6-9)13(18)16-8-12(17)15-3-4-19-2/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyZIXOWYRQGDBYGZ-UHFFFAOYSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 104852583
3-bromo-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 115999730
3-bromo-N-[3-(2-methoxyethoxy)propyl]-5-methylbenzamide
CID 104852499
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460816
3-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide
CID 104852655
N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 34231217
3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 99606290
3,5-dibromo-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103907474
3-bromo-N-(3-ethoxypropyl)-5-methylbenzamide
CID 104851824
3-bromo-N-butyl-5-methylbenzamide
CID 104851755

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide (CID 113460827) is 3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide is COCCNC(=O)CNC(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide?
The InChIKey is ZIXOWYRQGDBYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-9-5-10(7-11(14)6-9)13(18)16-8-12(17)15-3-4-19-2/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide?
3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide has a molecular weight of 329.19 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide is sourced from PubChem (CID 113460827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).