2-(2-amino-4-bromophenoxy)propanamide

C9H11BrN2O2 — CID 65429423

IUPAC2-(2-amino-4-bromophenoxy)propanamide
SMILESCC(Oc1ccc(Br)cc1N)C(N)=O
InChIInChI=1S/C9H11BrN2O2/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyFXVBKMVGAUAPBJ-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.28
Rot. Bonds3

About 2-(2-amino-4-bromophenoxy)propanamide

2-(2-amino-4-bromophenoxy)propanamide (PubChem CID 65429423) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenoxy)propanamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenoxy)propanamide
PubChem CID65429423
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-(2-amino-4-bromophenoxy)propanamide
SMILESCC(Oc1ccc(Br)cc1N)C(N)=O
InChIInChI=1S/C9H11BrN2O2/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyFXVBKMVGAUAPBJ-UHFFFAOYSA-N
XLogP1.28
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-4-bromophenoxy)propanamide 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

(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
2-(5-bromo-2-fluorophenoxy)propanamide
CID 115918546
(E)-3-[2-(1-amino-1-oxopropan-2-yl)oxy-5-bromophenyl]prop-2-enoic acid
CID 43147751
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 43277599
2-(2-amino-4-bromo-5-fluorophenoxy)propanamide
CID 103483009
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63057512
2-(4-amino-2,5-dimethylphenoxy)propanamide
CID 63181130
(2S)-2-(4-bromo-2-methylphenoxy)propanoic acid
CID 42316822
2-(4-bromo-2-methylphenoxy)propanethioamide
CID 63216923
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenoxy)propanamide?
The IUPAC name of 2-(2-amino-4-bromophenoxy)propanamide (CID 65429423) is 2-(2-amino-4-bromophenoxy)propanamide.
What is the SMILES notation for 2-(2-amino-4-bromophenoxy)propanamide?
The canonical SMILES for 2-(2-amino-4-bromophenoxy)propanamide is CC(Oc1ccc(Br)cc1N)C(N)=O.
What is the InChIKey of 2-(2-amino-4-bromophenoxy)propanamide?
The InChIKey is FXVBKMVGAUAPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,11H2,1H3,(H2,12,13).
What are the key properties of 2-(2-amino-4-bromophenoxy)propanamide?
2-(2-amino-4-bromophenoxy)propanamide has a molecular weight of 259.10 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenoxy)propanamide is sourced from PubChem (CID 65429423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).