2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide

C11H15BrN2O2 — CID 103104513

IUPAC2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)Cc1cccc(Br)c1O
InChIInChI=1S/C11H15BrN2O2/c1-2-14(7-10(13)15)6-8-4-3-5-9(12)11(8)16/h3-5,16H,2,6-7H2,1H3,(H2,13,15)
InChIKeySCNRMEJUSYKKRQ-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.46
Rot. Bonds5

About 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide

2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide (PubChem CID 103104513) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide
PubChem CID103104513
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(N)=O)Cc1cccc(Br)c1O
InChIInChI=1S/C11H15BrN2O2/c1-2-14(7-10(13)15)6-8-4-3-5-9(12)11(8)16/h3-5,16H,2,6-7H2,1H3,(H2,13,15)
InChIKeySCNRMEJUSYKKRQ-UHFFFAOYSA-N
XLogP1.46
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]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-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide?
The IUPAC name of 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide (CID 103104513) is 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide.
What is the SMILES notation for 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide?
The canonical SMILES for 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide is CCN(CC(N)=O)Cc1cccc(Br)c1O.
What is the InChIKey of 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide?
The InChIKey is SCNRMEJUSYKKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-14(7-10(13)15)6-8-4-3-5-9(12)11(8)16/h3-5,16H,2,6-7H2,1H3,(H2,13,15).
What are the key properties of 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide?
2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide has a molecular weight of 287.16 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide is sourced from PubChem (CID 103104513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).