2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide

C14H15BrN2O3 — CID 104652472

IUPAC2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide
SMILESCC(Nc1ccc(OCC(N)=O)cc1)c1ccc(Br)o1
InChIInChI=1S/C14H15BrN2O3/c1-9(12-6-7-13(15)20-12)17-10-2-4-11(5-3-10)19-8-14(16)18/h2-7,9,17H,8H2,1H3,(H2,16,18)
InChIKeyMQBGRVWPHVQNDA-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.08
Rot. Bonds6

About 2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide

2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide (PubChem CID 104652472) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide
PubChem CID104652472
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide
SMILESCC(Nc1ccc(OCC(N)=O)cc1)c1ccc(Br)o1
InChIInChI=1S/C14H15BrN2O3/c1-9(12-6-7-13(15)20-12)17-10-2-4-11(5-3-10)19-8-14(16)18/h2-7,9,17H,8H2,1H3,(H2,16,18)
InChIKeyMQBGRVWPHVQNDA-UHFFFAOYSA-N
XLogP3.08
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
5-[1-(5-bromofuran-2-yl)ethylamino]-2-chlorobenzamide
CID 104652478
2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide
CID 43711075
N-[1-(5-bromofuran-2-yl)ethyl]-4-ethylaniline
CID 113437452
2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide
CID 43711136
5-[1-(4-ethoxyanilino)ethyl]furan-2-carboxylic acid
CID 103231754
N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline
CID 104652692
N-[1-(5-bromofuran-2-yl)ethyl]-6-ethoxypyridin-3-amine
CID 104653126
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
2-[4-(1-cyclopropylpropylamino)phenoxy]acetamide
CID 64918188
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide
CID 60579665
2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide
CID 62083592

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide (CID 104652472) is 2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide is CC(Nc1ccc(OCC(N)=O)cc1)c1ccc(Br)o1.
What is the InChIKey of 2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide?
The InChIKey is MQBGRVWPHVQNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-9(12-6-7-13(15)20-12)17-10-2-4-11(5-3-10)19-8-14(16)18/h2-7,9,17H,8H2,1H3,(H2,16,18).
What are the key properties of 2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide?
2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide has a molecular weight of 339.19 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide is sourced from PubChem (CID 104652472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).