3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide

C17H18BrNO3 — CID 54790974

IUPAC3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide
SMILESCCOCCOc1ccccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C17H18BrNO3/c1-2-21-10-11-22-16-9-4-3-8-15(16)19-17(20)13-6-5-7-14(18)12-13/h3-9,12H,2,10-11H2,1H3,(H,19,20)
InChIKeyMAPUFSDZAIMBPC-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.12
Rot. Bonds7

About 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide

3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide (PubChem CID 54790974) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide
PubChem CID54790974
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide
SMILESCCOCCOc1ccccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C17H18BrNO3/c1-2-21-10-11-22-16-9-4-3-8-15(16)19-17(20)13-6-5-7-14(18)12-13/h3-9,12H,2,10-11H2,1H3,(H,19,20)
InChIKeyMAPUFSDZAIMBPC-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide 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-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134086
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide
CID 17134058
3-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54790844
N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide
CID 17134093
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837835
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034
N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide
CID 43413534
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844474
3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 17139907
6-(3-bromophenoxy)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 55699313

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide (CID 54790974) is 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide is CCOCCOc1ccccc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide?
The InChIKey is MAPUFSDZAIMBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-2-21-10-11-22-16-9-4-3-8-15(16)19-17(20)13-6-5-7-14(18)12-13/h3-9,12H,2,10-11H2,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide?
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide has a molecular weight of 364.24 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-ethoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 54790974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).