3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide

C11H14BrNO4 — CID 79672966

IUPAC3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide
SMILESCOCCONC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C11H14BrNO4/c1-15-5-6-17-13-11(14)8-3-4-10(16-2)9(12)7-8/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyOBTBXIFIEUUAQY-UHFFFAOYSA-N
MW304.14 g/mol
LogP1.77
Rot. Bonds6

About 3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide

3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide (PubChem CID 79672966) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide
PubChem CID79672966
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide
SMILESCOCCONC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C11H14BrNO4/c1-15-5-6-17-13-11(14)8-3-4-10(16-2)9(12)7-8/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyOBTBXIFIEUUAQY-UHFFFAOYSA-N
XLogP1.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2-amino-2-oxoethoxy)-3-bromo-4-methoxybenzamide
CID 112550861
3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79676704
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
4-bromo-N-(2-methoxyethoxy)benzamide
CID 79676789
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethoxy)ethanone
CID 43799010
3-bromo-4-methoxy-N',N'-dimethylbenzohydrazide
CID 78911956
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-3-hydroxypropanoate
CID 43407222

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide (CID 79672966) is 3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide is COCCONC(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide?
The InChIKey is OBTBXIFIEUUAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-15-5-6-17-13-11(14)8-3-4-10(16-2)9(12)7-8/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide?
3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide has a molecular weight of 304.14 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 79672966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).