2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide

C11H14BrNO2 — CID 2272264

IUPAC2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-15-7-6-13-11(14)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyYLZRIWFUIOZLJA-UHFFFAOYSA-N
MW272.14 g/mol
LogP1.75
Rot. Bonds5

About 2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide

2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide (PubChem CID 2272264) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide
PubChem CID2272264
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-15-7-6-13-11(14)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H,13,14)
InChIKeyYLZRIWFUIOZLJA-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide 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 2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide (CID 2272264) is 2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is YLZRIWFUIOZLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-15-7-6-13-11(14)8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H,13,14).
What are the key properties of 2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide?
2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 272.14 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 2272264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).