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

C11H14BrNO3 — CID 15943150

IUPAC3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(OCCOC)c(Br)c1
InChIInChI=1S/C11H14BrNO3/c1-13-11(14)8-3-4-10(9(12)7-8)16-6-5-15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyDRQLVZSNTKVJGU-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.83
Rot. Bonds5

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

3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide (PubChem CID 15943150) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
PubChem CID15943150
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(OCCOC)c(Br)c1
InChIInChI=1S/C11H14BrNO3/c1-13-11(14)8-3-4-10(9(12)7-8)16-6-5-15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyDRQLVZSNTKVJGU-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
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-[4-[[4-[[3-bromo-4-(2-methoxyethoxy)benzoyl]amino]phenyl]methyl]phenyl]-4-(2-methoxyethoxy)benzamide
CID 17357137
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710
3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356623
3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide
CID 15943188
3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide
CID 15943284
ethyl 3-bromo-4-(2-methoxyethoxy)benzoate
CID 11839084
3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356627
3-bromo-4-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642675
[4-[3-bromo-4-(2-methoxyethoxy)benzoyl]piperazin-1-yl]-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
CID 17357131
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-3,3-dimethylbutan-1-one
CID 113438033
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-chlorophenyl)methanone
CID 104657186
N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17234914

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide?
The IUPAC name of 3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide (CID 15943150) is 3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide.
What is the SMILES notation for 3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide?
The canonical SMILES for 3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide is CNC(=O)c1ccc(OCCOC)c(Br)c1.
What is the InChIKey of 3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide?
The InChIKey is DRQLVZSNTKVJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-13-11(14)8-3-4-10(9(12)7-8)16-6-5-15-2/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide?
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide has a molecular weight of 288.14 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide is sourced from PubChem (CID 15943150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).