5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide

C25H26BrNO4 — CID 17130986

IUPAC5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide
SMILESCC(C)COc1ccc(Br)cc1C(=O)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C25H26BrNO4/c1-18(2)17-31-23-13-12-19(26)16-21(23)25(28)27-22-10-6-7-11-24(22)30-15-14-29-20-8-4-3-5-9-20/h3-13,16,18H,14-15,17H2,1-2H3,(H,27,28)
InChIKeySXOLKXWCZBDCJN-UHFFFAOYSA-N
MW484.39 g/mol
LogP6.19
Rot. Bonds10

About 5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide

5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide (PubChem CID 17130986) has the molecular formula C25H26BrNO4 and a molecular weight of 484.39 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide
PubChem CID17130986
Molecular FormulaC25H26BrNO4
Molecular Weight484.39 g/mol
Exact Mass483.10
IUPAC Name5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide
SMILESCC(C)COc1ccc(Br)cc1C(=O)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C25H26BrNO4/c1-18(2)17-31-23-13-12-19(26)16-21(23)25(28)27-22-10-6-7-11-24(22)30-15-14-29-20-8-4-3-5-9-20/h3-13,16,18H,14-15,17H2,1-2H3,(H,27,28)
InChIKeySXOLKXWCZBDCJN-UHFFFAOYSA-N
XLogP6.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.39
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)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

5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096800
5-bromo-2-ethoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074427
2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]benzoic acid
CID 54856145
5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851
5-bromo-2-(2-methylpropoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170286
5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17050842
5-bromo-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17094596
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131495
5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17050838
3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130966
5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17169902

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide?
The IUPAC name of 5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide (CID 17130986) is 5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide is CC(C)COc1ccc(Br)cc1C(=O)Nc1ccccc1OCCOc1ccccc1.
What is the InChIKey of 5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide?
The InChIKey is SXOLKXWCZBDCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrNO4/c1-18(2)17-31-23-13-12-19(26)16-21(23)25(28)27-22-10-6-7-11-24(22)30-15-14-29-20-8-4-3-5-9-20/h3-13,16,18H,14-15,17H2,1-2H3,(H,27,28).
What are the key properties of 5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide?
5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide has a molecular weight of 484.39 g/mol, XLogP of 6.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 17130986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).