3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide

C26H28BrNO4 — CID 17130966

IUPAC3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccccc2OCCOc2ccccc2)cc1Br
InChIInChI=1S/C26H28BrNO4/c1-19(2)14-15-31-24-13-12-20(18-22(24)27)26(29)28-23-10-6-7-11-25(23)32-17-16-30-21-8-4-3-5-9-21/h3-13,18-19H,14-17H2,1-2H3,(H,28,29)
InChIKeyLCAIQCRQHJQYIE-UHFFFAOYSA-N
MW498.42 g/mol
LogP6.58
Rot. Bonds11

About 3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide

3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide (PubChem CID 17130966) has the molecular formula C26H28BrNO4 and a molecular weight of 498.42 g/mol. Its IUPAC name is 3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide
PubChem CID17130966
Molecular FormulaC26H28BrNO4
Molecular Weight498.42 g/mol
Exact Mass497.12
IUPAC Name3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccccc2OCCOc2ccccc2)cc1Br
InChIInChI=1S/C26H28BrNO4/c1-19(2)14-15-31-24-13-12-20(18-22(24)27)26(29)28-23-10-6-7-11-25(23)32-17-16-30-21-8-4-3-5-9-21/h3-13,18-19H,14-17H2,1-2H3,(H,28,29)
InChIKeyLCAIQCRQHJQYIE-UHFFFAOYSA-N
XLogP6.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.42
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-4-(3-methylbutoxy)-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

3-bromo-4-(3-methylbutoxy)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131089
3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130977
3-bromo-4-(3-methylbutoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131491
3-bromo-4-(3-methylbutoxy)-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098035
3-bromo-4-(3-methylbutoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097335
3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 17339461
3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 17339336
3-bromo-N-(3-methoxyphenyl)-4-(3-methylbutoxy)benzamide
CID 17339373
3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide
CID 17339332
[4-(2-phenoxyethoxycarbonyl)phenyl] 3-bromo-4-(3-methylbutoxy)benzoate
CID 17151533
3-bromo-N-[2-(3-phenylpropoxy)phenyl]-4-propoxybenzamide
CID 17131493
3-bromo-N-[2-(2-methylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17074334

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide?
The IUPAC name of 3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide (CID 17130966) is 3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide is CC(C)CCOc1ccc(C(=O)Nc2ccccc2OCCOc2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide?
The InChIKey is LCAIQCRQHJQYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrNO4/c1-19(2)14-15-31-24-13-12-20(18-22(24)27)26(29)28-23-10-6-7-11-25(23)32-17-16-30-21-8-4-3-5-9-21/h3-13,18-19H,14-17H2,1-2H3,(H,28,29).
What are the key properties of 3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide?
3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide has a molecular weight of 498.42 g/mol, XLogP of 6.58, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-methylbutoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide is sourced from PubChem (CID 17130966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).