2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide

C17H18BrNO3 — CID 99818572

IUPAC2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)NCCOCc1ccccc1
InChIInChI=1S/C17H18BrNO3/c18-15-6-8-16(9-7-15)22-13-17(20)19-10-11-21-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)
InChIKeyDOOPUFBYSOLWGW-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.16
Rot. Bonds8

About 2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide

2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide (PubChem CID 99818572) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide
PubChem CID99818572
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)NCCOCc1ccccc1
InChIInChI=1S/C17H18BrNO3/c18-15-6-8-16(9-7-15)22-13-17(20)19-10-11-21-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)
InChIKeyDOOPUFBYSOLWGW-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)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

2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide
CID 24682749
N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide
CID 41306516
4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 38611489
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
3-[[2-(4-bromophenoxy)acetyl]amino]propanamide
CID 122142658
2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate
CID 101151355
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
N-[2-(2-fluorophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 9199968
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-phenylacetamide
CID 4505092
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide (CID 99818572) is 2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide is O=C(COc1ccc(Br)cc1)NCCOCc1ccccc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide?
The InChIKey is DOOPUFBYSOLWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c18-15-6-8-16(9-7-15)22-13-17(20)19-10-11-21-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20).
What are the key properties of 2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide?
2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide has a molecular weight of 364.24 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide is sourced from PubChem (CID 99818572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).