5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide

C21H26BrNO4 — CID 17169902

IUPAC5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
SMILESCOCCOc1cccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)c1
InChIInChI=1S/C21H26BrNO4/c1-15(2)9-10-27-20-8-7-16(22)13-19(20)21(24)23-17-5-4-6-18(14-17)26-12-11-25-3/h4-8,13-15H,9-12H2,1-3H3,(H,23,24)
InChIKeyYLUQKKGLINJVQC-UHFFFAOYSA-N
MW436.35 g/mol
LogP5.15
Rot. Bonds10

About 5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide

5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide (PubChem CID 17169902) has the molecular formula C21H26BrNO4 and a molecular weight of 436.35 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
PubChem CID17169902
Molecular FormulaC21H26BrNO4
Molecular Weight436.35 g/mol
Exact Mass435.10
IUPAC Name5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
SMILESCOCCOc1cccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)c1
InChIInChI=1S/C21H26BrNO4/c1-15(2)9-10-27-20-8-7-16(22)13-19(20)21(24)23-17-5-4-6-18(14-17)26-12-11-25-3/h4-8,13-15H,9-12H2,1-3H3,(H,23,24)
InChIKeyYLUQKKGLINJVQC-UHFFFAOYSA-N
XLogP5.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.35
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3-methylbutoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154784
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835
5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
CID 17350689
5-bromo-N-(3-chlorophenyl)-2-(3-methylbutoxy)benzamide
CID 17350678
5-bromo-2-ethoxy-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide
CID 17097441
5-bromo-2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096800
5-bromo-N-(3-cyanophenyl)-2-(3-methylbutoxy)benzamide
CID 17350713
5-bromo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-2-(3-methylbutoxy)benzamide
CID 26160308
5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851
3-bromo-4-(3-methylbutoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097335
N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide
CID 17350697
N-(3-hexoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 17094817

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide?
The IUPAC name of 5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide (CID 17169902) is 5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide?
The canonical SMILES for 5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide is COCCOc1cccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)c1.
What is the InChIKey of 5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide?
The InChIKey is YLUQKKGLINJVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO4/c1-15(2)9-10-27-20-8-7-16(22)13-19(20)21(24)23-17-5-4-6-18(14-17)26-12-11-25-3/h4-8,13-15H,9-12H2,1-3H3,(H,23,24).
What are the key properties of 5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide?
5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide has a molecular weight of 436.35 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 17169902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).