3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide

C11H14BrNO3 — CID 79676704

IUPAC3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide
SMILESCOCCONC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C11H14BrNO3/c1-8-3-4-9(7-10(8)12)11(14)13-16-6-5-15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyWJCDVELDOILEAY-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.07
Rot. Bonds5

About 3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide

3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide (PubChem CID 79676704) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide
PubChem CID79676704
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide
SMILESCOCCONC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C11H14BrNO3/c1-8-3-4-9(7-10(8)12)11(14)13-16-6-5-15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyWJCDVELDOILEAY-UHFFFAOYSA-N
XLogP2.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 79672966
3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79672875
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylbenzamide
CID 79466673
4-bromo-N-(2-methoxyethoxy)benzamide
CID 79676789
2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate
CID 83203375
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
methyl 2-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxypropanoate
CID 81472391
4-bromo-N-ethoxy-3-methylbenzamide
CID 115769561
3-bromo-N'-(4-methoxybenzoyl)-4-methylbenzohydrazide
CID 4509106
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide
CID 71982585

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide (CID 79676704) is 3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide is COCCONC(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide?
The InChIKey is WJCDVELDOILEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-8-3-4-9(7-10(8)12)11(14)13-16-6-5-15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide?
3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide has a molecular weight of 288.14 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide is sourced from PubChem (CID 79676704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).