3-bromo-5-ethoxy-4-methoxybenzamide

C10H12BrNO3 — CID 900806

IUPAC3-bromo-5-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(N)=O)cc(Br)c1OC
InChIInChI=1S/C10H12BrNO3/c1-3-15-8-5-6(10(12)13)4-7(11)9(8)14-2/h4-5H,3H2,1-2H3,(H2,12,13)
InChIKeyAGMUJEZTMQRKPI-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.96
Rot. Bonds4

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

3-bromo-5-ethoxy-4-methoxybenzamide (PubChem CID 900806) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-ethoxy-4-methoxybenzamide
PubChem CID900806
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name3-bromo-5-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(N)=O)cc(Br)c1OC
InChIInChI=1S/C10H12BrNO3/c1-3-15-8-5-6(10(12)13)4-7(11)9(8)14-2/h4-5H,3H2,1-2H3,(H2,12,13)
InChIKeyAGMUJEZTMQRKPI-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-5-ethoxy-4-methoxybenzamide?
The IUPAC name of 3-bromo-5-ethoxy-4-methoxybenzamide (CID 900806) is 3-bromo-5-ethoxy-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-5-ethoxy-4-methoxybenzamide?
The canonical SMILES for 3-bromo-5-ethoxy-4-methoxybenzamide is CCOc1cc(C(N)=O)cc(Br)c1OC.
What is the InChIKey of 3-bromo-5-ethoxy-4-methoxybenzamide?
The InChIKey is AGMUJEZTMQRKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-3-15-8-5-6(10(12)13)4-7(11)9(8)14-2/h4-5H,3H2,1-2H3,(H2,12,13).
What are the key properties of 3-bromo-5-ethoxy-4-methoxybenzamide?
3-bromo-5-ethoxy-4-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-5-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 900806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).