3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide

C12H16BrFN2O2 — CID 62622876

IUPAC3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1c(N)cc(F)cc1Br
InChIInChI=1S/C12H16BrFN2O2/c1-7(2)16-11(17)3-4-18-12-9(13)5-8(14)6-10(12)15/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyDEWDGLPUEXOWKW-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.46
Rot. Bonds5

About 3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide

3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide (PubChem CID 62622876) has the molecular formula C12H16BrFN2O2 and a molecular weight of 319.17 g/mol. Its IUPAC name is 3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide
PubChem CID62622876
Molecular FormulaC12H16BrFN2O2
Molecular Weight319.17 g/mol
Exact Mass318.04
IUPAC Name3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1c(N)cc(F)cc1Br
InChIInChI=1S/C12H16BrFN2O2/c1-7(2)16-11(17)3-4-18-12-9(13)5-8(14)6-10(12)15/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyDEWDGLPUEXOWKW-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide 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

3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 62326726
3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 62626452
3-bromo-5-fluoro-2-(2-fluoroethoxy)aniline
CID 80698590
[3-oxo-3-(propan-2-ylamino)propyl] 2-amino-5-fluorobenzoate
CID 62626625
3-bromo-5-fluoro-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103408888
2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide
CID 43379290
3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline
CID 106449299
3-bromo-2-(2,4-dimethylpentoxy)-5-fluoroaniline
CID 114200008
2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide
CID 43379393
3-(4-bromo-3-methylphenoxy)-N-propan-2-ylpropanamide
CID 83133367
3-bromo-5-fluoro-2-(2-propylsulfonylethoxy)aniline
CID 106721656
3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide
CID 63368106

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide (CID 62622876) is 3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCOc1c(N)cc(F)cc1Br.
What is the InChIKey of 3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide?
The InChIKey is DEWDGLPUEXOWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2/c1-7(2)16-11(17)3-4-18-12-9(13)5-8(14)6-10(12)15/h5-7H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide?
3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide has a molecular weight of 319.17 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62622876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).