5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

C11H13BrN2O2 — CID 65306886

IUPAC5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C11H13BrN2O2/c1-7-3-4-8(12)5-9(7)11(16)14-6-10(15)13-2/h3-5H,6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyKBUNCCVWACSJDB-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.23
Rot. Bonds3

About 5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 65306886) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID65306886
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C11H13BrN2O2/c1-7-3-4-8(12)5-9(7)11(16)14-6-10(15)13-2/h3-5H,6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyKBUNCCVWACSJDB-UHFFFAOYSA-N
XLogP1.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 65309624
5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 65306800
4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 47435886
2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79714359
5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide
CID 65307856
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374
4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 78987486
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
N-(3-amino-3-sulfanylidenepropyl)-5-bromo-2-methylbenzamide
CID 65308301

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 65306886) is 5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CNC(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is KBUNCCVWACSJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-7-3-4-8(12)5-9(7)11(16)14-6-10(15)13-2/h3-5H,6H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 285.14 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 65306886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).