3-bromo-4,5-diethoxybenzamide

C11H14BrNO3 — CID 900801

IUPAC3-bromo-4,5-diethoxybenzamide
SMILESCCOc1cc(C(N)=O)cc(Br)c1OCC
InChIInChI=1S/C11H14BrNO3/c1-3-15-9-6-7(11(13)14)5-8(12)10(9)16-4-2/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyXMEZJSYRJGCLKL-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.35
Rot. Bonds5

About 3-bromo-4,5-diethoxybenzamide

3-bromo-4,5-diethoxybenzamide (PubChem CID 900801) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-bromo-4,5-diethoxybenzamide.

Molecular Properties

Compound Name3-bromo-4,5-diethoxybenzamide
PubChem CID900801
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name3-bromo-4,5-diethoxybenzamide
SMILESCCOc1cc(C(N)=O)cc(Br)c1OCC
InChIInChI=1S/C11H14BrNO3/c1-3-15-9-6-7(11(13)14)5-8(12)10(9)16-4-2/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyXMEZJSYRJGCLKL-UHFFFAOYSA-N
XLogP2.35
TPSA61.55 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,5-diethoxybenzamide?
The IUPAC name of 3-bromo-4,5-diethoxybenzamide (CID 900801) is 3-bromo-4,5-diethoxybenzamide.
What is the SMILES notation for 3-bromo-4,5-diethoxybenzamide?
The canonical SMILES for 3-bromo-4,5-diethoxybenzamide is CCOc1cc(C(N)=O)cc(Br)c1OCC.
What is the InChIKey of 3-bromo-4,5-diethoxybenzamide?
The InChIKey is XMEZJSYRJGCLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-3-15-9-6-7(11(13)14)5-8(12)10(9)16-4-2/h5-6H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of 3-bromo-4,5-diethoxybenzamide?
3-bromo-4,5-diethoxybenzamide has a molecular weight of 288.14 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,5-diethoxybenzamide is sourced from PubChem (CID 900801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).