2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide

C16H17BrN2O2 — CID 61140560

IUPAC2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(N)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-11(12-3-2-4-13(17)9-12)19-16(20)10-21-15-7-5-14(18)6-8-15/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyIYRUHBMCYNXIQJ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.29
Rot. Bonds5

About 2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide

2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide (PubChem CID 61140560) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
PubChem CID61140560
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(N)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-11(12-3-2-4-13(17)9-12)19-16(20)10-21-15-7-5-14(18)6-8-15/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyIYRUHBMCYNXIQJ-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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 2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide 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

N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 28552786
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 28552789
N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide
CID 43873421
N-[1-(3-bromophenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43874356
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 46580359
N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 55702572
N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
CID 58640419
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
2-(4-aminophenoxy)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 61117701
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 28551898
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 28555896

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide (CID 61140560) is 2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide is CC(NC(=O)COc1ccc(N)cc1)c1cccc(Br)c1.
What is the InChIKey of 2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide?
The InChIKey is IYRUHBMCYNXIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(12-3-2-4-13(17)9-12)19-16(20)10-21-15-7-5-14(18)6-8-15/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide?
2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide is sourced from PubChem (CID 61140560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).