3-(5-amino-2-bromophenoxy)-N-methylpropanamide

C10H13BrN2O2 — CID 103008818

IUPAC3-(5-amino-2-bromophenoxy)-N-methylpropanamide
SMILESCNC(=O)CCOc1cc(N)ccc1Br
InChIInChI=1S/C10H13BrN2O2/c1-13-10(14)4-5-15-9-6-7(12)2-3-8(9)11/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyFHFAKUUZOPNIAH-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.55
Rot. Bonds4

About 3-(5-amino-2-bromophenoxy)-N-methylpropanamide

3-(5-amino-2-bromophenoxy)-N-methylpropanamide (PubChem CID 103008818) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-(5-amino-2-bromophenoxy)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-amino-2-bromophenoxy)-N-methylpropanamide
PubChem CID103008818
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name3-(5-amino-2-bromophenoxy)-N-methylpropanamide
SMILESCNC(=O)CCOc1cc(N)ccc1Br
InChIInChI=1S/C10H13BrN2O2/c1-13-10(14)4-5-15-9-6-7(12)2-3-8(9)11/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyFHFAKUUZOPNIAH-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-amino-2-bromophenoxy)-N-methylpropanamide 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-[4-amino-2-(trifluoromethyl)phenoxy]-N-methylpropanamide
CID 62324537
4-bromo-3-ethoxyaniline
CID 7015503
4-bromo-3-heptoxyaniline
CID 103008551
6-(5-amino-2-bromophenoxy)hexan-1-ol
CID 107702035
3-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methylpropanamide
CID 55191169
3-[(2-bromo-3-pyridinyl)oxy]-N-methylpropanamide
CID 65101915
3-[4-bromo-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 62325278
3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 62326726
[3-(methylamino)-3-oxopropyl] 5-amino-2-methoxybenzoate
CID 55060431
3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 83232920
[3-(methylamino)-3-oxopropyl] 5-amino-2-chlorobenzoate
CID 62326124
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-bromophenoxy)-N-methylpropanamide?
The IUPAC name of 3-(5-amino-2-bromophenoxy)-N-methylpropanamide (CID 103008818) is 3-(5-amino-2-bromophenoxy)-N-methylpropanamide.
What is the SMILES notation for 3-(5-amino-2-bromophenoxy)-N-methylpropanamide?
The canonical SMILES for 3-(5-amino-2-bromophenoxy)-N-methylpropanamide is CNC(=O)CCOc1cc(N)ccc1Br.
What is the InChIKey of 3-(5-amino-2-bromophenoxy)-N-methylpropanamide?
The InChIKey is FHFAKUUZOPNIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-13-10(14)4-5-15-9-6-7(12)2-3-8(9)11/h2-3,6H,4-5,12H2,1H3,(H,13,14).
What are the key properties of 3-(5-amino-2-bromophenoxy)-N-methylpropanamide?
3-(5-amino-2-bromophenoxy)-N-methylpropanamide has a molecular weight of 273.13 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-bromophenoxy)-N-methylpropanamide is sourced from PubChem (CID 103008818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).