3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide

C12H15Br2NO2 — CID 103909435

IUPAC3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide
SMILESCCOCCN(C)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-3-17-5-4-15(2)12(16)9-6-10(13)8-11(14)7-9/h6-8H,3-5H2,1-2H3
InChIKeyWLGGGZARLWROPH-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.32
Rot. Bonds5

About 3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide

3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide (PubChem CID 103909435) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide
PubChem CID103909435
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide
SMILESCCOCCN(C)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-3-17-5-4-15(2)12(16)9-6-10(13)8-11(14)7-9/h6-8H,3-5H2,1-2H3
InChIKeyWLGGGZARLWROPH-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 81074001
3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
CID 113349801
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
3-bromo-N-[2-(2-bromoethoxy)ethyl]-5-chloro-N-methylbenzamide
CID 114242851
5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide
CID 81055207
3,5-dibromo-N-methyl-N-pent-4-enylbenzamide
CID 103908739
4-bromo-N-(2-ethoxyethyl)-N-methyl-3-nitrobenzamide
CID 81058314
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075
3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide
CID 81052864
3,4-dichloro-N-(2-ethoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 81063673
3-[2-ethoxyethyl(methyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
CID 81074339
5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
CID 81055957

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide?
The IUPAC name of 3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide (CID 103909435) is 3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide?
The canonical SMILES for 3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide is CCOCCN(C)C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide?
The InChIKey is WLGGGZARLWROPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-3-17-5-4-15(2)12(16)9-6-10(13)8-11(14)7-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide?
3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide has a molecular weight of 365.07 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide is sourced from PubChem (CID 103909435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).