3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide

C22H25BrN2O5 — CID 17150417

IUPAC3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)c1ccc(OCC2CCCO2)c(Br)c1
InChIInChI=1S/C22H25BrN2O5/c1-28-12-10-24-22(27)17-6-2-3-7-19(17)25-21(26)15-8-9-20(18(23)13-15)30-14-16-5-4-11-29-16/h2-3,6-9,13,16H,4-5,10-12,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyXQKCKIWDIGZFIL-UHFFFAOYSA-N
MW477.36 g/mol
LogP3.64
Rot. Bonds9

About 3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide

3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 17150417) has the molecular formula C22H25BrN2O5 and a molecular weight of 477.36 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID17150417
Molecular FormulaC22H25BrN2O5
Molecular Weight477.36 g/mol
Exact Mass476.09
IUPAC Name3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)c1ccc(OCC2CCCO2)c(Br)c1
InChIInChI=1S/C22H25BrN2O5/c1-28-12-10-24-22(27)17-6-2-3-7-19(17)25-21(26)15-8-9-20(18(23)13-15)30-14-16-5-4-11-29-16/h2-3,6-9,13,16H,4-5,10-12,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyXQKCKIWDIGZFIL-UHFFFAOYSA-N
XLogP3.64
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)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-bromo-4-(oxolan-2-ylmethoxy)-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17131771
3-bromo-4-(oxolan-2-ylmethoxy)-N-phenylbenzamide
CID 17131651
3-bromo-4-(oxolan-2-ylmethoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218870
3-bromo-N-(3-bromophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 17252213
3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 17356398
3-bromo-N-tert-butyl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 41280671
3-bromo-4-(oxolan-2-ylmethoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204952
3-bromo-N-[4-[4-[[3-bromo-4-(oxolan-2-ylmethoxy)benzoyl]amino]phenoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17131851
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17149402
N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356400
3-bromo-N-(3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 17131675
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of 3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 17150417) is 3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for 3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for 3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide is COCCNC(=O)c1ccccc1NC(=O)c1ccc(OCC2CCCO2)c(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is XQKCKIWDIGZFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O5/c1-28-12-10-24-22(27)17-6-2-3-7-19(17)25-21(26)15-8-9-20(18(23)13-15)30-14-16-5-4-11-29-16/h2-3,6-9,13,16H,4-5,10-12,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 477.36 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 17150417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).