3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide

C16H17BrN2O2 — CID 107623924

IUPAC3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide
SMILESCc1c(Br)cccc1NC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11-14(17)3-2-4-15(11)19-16(20)9-10-21-13-7-5-12(18)6-8-13/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyZLLVDDLXLRNVLA-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.75
Rot. Bonds5

About 3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide

3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide (PubChem CID 107623924) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide
PubChem CID107623924
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide
SMILESCc1c(Br)cccc1NC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C16H17BrN2O2/c1-11-14(17)3-2-4-15(11)19-16(20)9-10-21-13-7-5-12(18)6-8-13/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyZLLVDDLXLRNVLA-UHFFFAOYSA-N
XLogP3.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.75
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-(3-bromo-2-methylphenyl)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-(2-bromophenyl)propanamide
CID 61090388
N-(2-bromophenyl)-3-(3,5-dimethylphenoxy)propanamide
CID 35503450
3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide
CID 81252231
N-(3-bromo-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 113230236
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
4-(4-bromophenoxy)-N-(3-chloro-2-methylphenyl)butanamide
CID 18292221
3-(3-bromophenoxy)-N-(3-chloro-2-methylphenyl)propanamide
CID 26589795
N-(3-amino-2-methylphenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16783456
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120568903
N-(4-amino-2,5-dimethylphenyl)-3-phenoxypropanamide
CID 54521750

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide (CID 107623924) is 3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide is Cc1c(Br)cccc1NC(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide?
The InChIKey is ZLLVDDLXLRNVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-14(17)3-2-4-15(11)19-16(20)9-10-21-13-7-5-12(18)6-8-13/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide?
3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide has a molecular weight of 349.23 g/mol, XLogP of 3.75, 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-(3-bromo-2-methylphenyl)propanamide is sourced from PubChem (CID 107623924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).