2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide

C13H12BrNO3 — CID 675220

IUPAC2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1Br)NCc1ccco1
InChIInChI=1S/C13H12BrNO3/c14-11-5-1-2-6-12(11)18-9-13(16)15-8-10-4-3-7-17-10/h1-7H,8-9H2,(H,15,16)
InChIKeyUAEXCWKBYATLSH-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.74
Rot. Bonds5

About 2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide

2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 675220) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID675220
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccccc1Br)NCc1ccco1
InChIInChI=1S/C13H12BrNO3/c14-11-5-1-2-6-12(11)18-9-13(16)15-8-10-4-3-7-17-10/h1-7H,8-9H2,(H,15,16)
InChIKeyUAEXCWKBYATLSH-UHFFFAOYSA-N
XLogP2.74
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromophenoxy)-N-(furan-2-ylmethyl)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-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide (CID 675220) is 2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide is O=C(COc1ccccc1Br)NCc1ccco1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is UAEXCWKBYATLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c14-11-5-1-2-6-12(11)18-9-13(16)15-8-10-4-3-7-17-10/h1-7H,8-9H2,(H,15,16).
What are the key properties of 2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide?
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 310.15 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 675220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).