3-bromo-4-ethoxy-5-methoxybenzamide

C10H12BrNO3 — CID 900804

IUPAC3-bromo-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(N)=O)cc1OC
InChIInChI=1S/C10H12BrNO3/c1-3-15-9-7(11)4-6(10(12)13)5-8(9)14-2/h4-5H,3H2,1-2H3,(H2,12,13)
InChIKeyXVEJBHRGNBBKOU-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.96
Rot. Bonds4

About 3-bromo-4-ethoxy-5-methoxybenzamide

3-bromo-4-ethoxy-5-methoxybenzamide (PubChem CID 900804) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxybenzamide
PubChem CID900804
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name3-bromo-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(N)=O)cc1OC
InChIInChI=1S/C10H12BrNO3/c1-3-15-9-7(11)4-6(10(12)13)5-8(9)14-2/h4-5H,3H2,1-2H3,(H2,12,13)
InChIKeyXVEJBHRGNBBKOU-UHFFFAOYSA-N
XLogP1.96
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxybenzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxybenzamide (CID 900804) is 3-bromo-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxybenzamide is CCOc1c(Br)cc(C(N)=O)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxybenzamide?
The InChIKey is XVEJBHRGNBBKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-3-15-9-7(11)4-6(10(12)13)5-8(9)14-2/h4-5H,3H2,1-2H3,(H2,12,13).
What are the key properties of 3-bromo-4-ethoxy-5-methoxybenzamide?
3-bromo-4-ethoxy-5-methoxybenzamide has a molecular weight of 274.11 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 900804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).