N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide

C17H17BrN2O3 — CID 54777061

IUPACN-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide
SMILESCC(=O)Nc1cc(NC(=O)COc2ccc(Br)cc2)ccc1C
InChIInChI=1S/C17H17BrN2O3/c1-11-3-6-14(9-16(11)19-12(2)21)20-17(22)10-23-15-7-4-13(18)5-8-15/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZVGHLBRIRHDPJS-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.73
Rot. Bonds5

About N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide

N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide (PubChem CID 54777061) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide
PubChem CID54777061
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide
SMILESCC(=O)Nc1cc(NC(=O)COc2ccc(Br)cc2)ccc1C
InChIInChI=1S/C17H17BrN2O3/c1-11-3-6-14(9-16(11)19-12(2)21)20-17(22)10-23-15-7-4-13(18)5-8-15/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZVGHLBRIRHDPJS-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)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-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 54777087
N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54777100
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487344
N-(5-bromo-2-methylphenyl)-2-phenoxyacetamide
CID 43806384
2-(4-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964612
2-amino-N-[3-[[2-(4-ethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192498
N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761066
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 4944441
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide (CID 54777061) is N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide is CC(=O)Nc1cc(NC(=O)COc2ccc(Br)cc2)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide?
The InChIKey is ZVGHLBRIRHDPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11-3-6-14(9-16(11)19-12(2)21)20-17(22)10-23-15-7-4-13(18)5-8-15/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide?
N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide has a molecular weight of 377.24 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 54777061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).