N-(4-bromo-2-methylphenyl)-2-methoxyacetamide

C10H12BrNO2 — CID 885617

IUPACN-(4-bromo-2-methylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C10H12BrNO2/c1-7-5-8(11)3-4-9(7)12-10(13)6-14-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyPTEUOOMCNLXISP-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.34
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2-methoxyacetamide

N-(4-bromo-2-methylphenyl)-2-methoxyacetamide (PubChem CID 885617) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-methoxyacetamide
PubChem CID885617
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC NameN-(4-bromo-2-methylphenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C10H12BrNO2/c1-7-5-8(11)3-4-9(7)12-10(13)6-14-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyPTEUOOMCNLXISP-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-methylphenyl)-2-methoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-methoxyacetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-methoxyacetamide (CID 885617) is N-(4-bromo-2-methylphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-methoxyacetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-methoxyacetamide is COCC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-methoxyacetamide?
The InChIKey is PTEUOOMCNLXISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-7-5-8(11)3-4-9(7)12-10(13)6-14-2/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-methoxyacetamide?
N-(4-bromo-2-methylphenyl)-2-methoxyacetamide has a molecular weight of 258.11 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-methoxyacetamide is sourced from PubChem (CID 885617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).