N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide

C10H12BrNO3 — CID 61072543

IUPACN-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(Br)ccc1OC
InChIInChI=1S/C10H12BrNO3/c1-14-6-10(13)12-8-5-7(11)3-4-9(8)15-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyHKTBIGNJTJPLJB-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.04
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide

N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide (PubChem CID 61072543) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
PubChem CID61072543
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC NameN-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(Br)ccc1OC
InChIInChI=1S/C10H12BrNO3/c1-14-6-10(13)12-8-5-7(11)3-4-9(8)15-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyHKTBIGNJTJPLJB-UHFFFAOYSA-N
XLogP2.04
TPSA47.56 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-bromo-2-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide (CID 61072543) is N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide is COCC(=O)Nc1cc(Br)ccc1OC.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide?
The InChIKey is HKTBIGNJTJPLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-14-6-10(13)12-8-5-7(11)3-4-9(8)15-2/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide?
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide has a molecular weight of 274.11 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide is sourced from PubChem (CID 61072543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).