2-(4-bromo-2-methylphenoxy)-N-methylacetamide

C10H12BrNO2 — CID 973307

IUPAC2-(4-bromo-2-methylphenoxy)-N-methylacetamide
SMILESCNC(=O)COc1ccc(Br)cc1C
InChIInChI=1S/C10H12BrNO2/c1-7-5-8(11)3-4-9(7)14-6-10(13)12-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyOAGVGDNRPWEMTK-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.88
Rot. Bonds3

About 2-(4-bromo-2-methylphenoxy)-N-methylacetamide

2-(4-bromo-2-methylphenoxy)-N-methylacetamide (PubChem CID 973307) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-methylacetamide
PubChem CID973307
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-methylacetamide
SMILESCNC(=O)COc1ccc(Br)cc1C
InChIInChI=1S/C10H12BrNO2/c1-7-5-8(11)3-4-9(7)14-6-10(13)12-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyOAGVGDNRPWEMTK-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-methylacetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-methylacetamide (CID 973307) is 2-(4-bromo-2-methylphenoxy)-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-methylacetamide is CNC(=O)COc1ccc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-methylacetamide?
The InChIKey is OAGVGDNRPWEMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-7-5-8(11)3-4-9(7)14-6-10(13)12-2/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-methylacetamide?
2-(4-bromo-2-methylphenoxy)-N-methylacetamide has a molecular weight of 258.11 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-methylacetamide is sourced from PubChem (CID 973307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).