3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide

C15H15BrN2O2 — CID 61090388

IUPAC3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide
SMILESNc1ccc(OCCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrN2O2/c16-13-3-1-2-4-14(13)18-15(19)9-10-20-12-7-5-11(17)6-8-12/h1-8H,9-10,17H2,(H,18,19)
InChIKeyOVOMJTPJDUBFAS-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.44
Rot. Bonds5

About 3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide

3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide (PubChem CID 61090388) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide
PubChem CID61090388
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide
SMILESNc1ccc(OCCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C15H15BrN2O2/c16-13-3-1-2-4-14(13)18-15(19)9-10-20-12-7-5-11(17)6-8-12/h1-8H,9-10,17H2,(H,18,19)
InChIKeyOVOMJTPJDUBFAS-UHFFFAOYSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(4-aminophenoxy)-N-(2-bromophenyl)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

3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide
CID 107623924
N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 35503450
3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide
CID 81252231
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromophenyl)-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109031154
N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide
CID 42989399
N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide
CID 62416404
N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide
CID 28938605
3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide
CID 61094942
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
N-(2-bromophenyl)-2-(4-phenylphenoxy)acetamide
CID 1193865

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide (CID 61090388) is 3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide is Nc1ccc(OCCC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide?
The InChIKey is OVOMJTPJDUBFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-13-3-1-2-4-14(13)18-15(19)9-10-20-12-7-5-11(17)6-8-12/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide?
3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide has a molecular weight of 335.20 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(2-bromophenyl)propanamide is sourced from PubChem (CID 61090388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).