2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide

C14H11Br3N2O2 — CID 61035585

IUPAC2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide
SMILESNc1cccc(OCC(=O)Nc2c(Br)cc(Br)cc2Br)c1
InChIInChI=1S/C14H11Br3N2O2/c15-8-4-11(16)14(12(17)5-8)19-13(20)7-21-10-3-1-2-9(18)6-10/h1-6H,7,18H2,(H,19,20)
InChIKeyHPXVANAWFYUPQI-UHFFFAOYSA-N
MW478.97 g/mol
LogP4.57
Rot. Bonds4

About 2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide

2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide (PubChem CID 61035585) has the molecular formula C14H11Br3N2O2 and a molecular weight of 478.97 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide
PubChem CID61035585
Molecular FormulaC14H11Br3N2O2
Molecular Weight478.97 g/mol
Exact Mass475.84
IUPAC Name2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide
SMILESNc1cccc(OCC(=O)Nc2c(Br)cc(Br)cc2Br)c1
InChIInChI=1S/C14H11Br3N2O2/c15-8-4-11(16)14(12(17)5-8)19-13(20)7-21-10-3-1-2-9(18)6-10/h1-6H,7,18H2,(H,19,20)
InChIKeyHPXVANAWFYUPQI-UHFFFAOYSA-N
XLogP4.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.97
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)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-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 61035718
2-(3-aminophenoxy)-N-(5-bromo-2-cyanophenyl)acetamide
CID 107796931
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 61090242
2-(3-aminophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 61034814
2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 61034938
2-(3-aminophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 39107625
2-(3-aminophenoxy)-N-(5-fluoro-2-pyridinyl)acetamide
CID 65481050
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
2-(3-aminophenoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 79353305
2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 61035869
2-(3-aminophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 39107715

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide (CID 61035585) is 2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide is Nc1cccc(OCC(=O)Nc2c(Br)cc(Br)cc2Br)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide?
The InChIKey is HPXVANAWFYUPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3N2O2/c15-8-4-11(16)14(12(17)5-8)19-13(20)7-21-10-3-1-2-9(18)6-10/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide?
2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide has a molecular weight of 478.97 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide is sourced from PubChem (CID 61035585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).