2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide

C28H24BrNO4 — CID 17130961

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C28H24BrNO4/c29-24-19-22(21-9-3-1-4-10-21)15-16-26(24)34-20-28(31)30-25-13-7-8-14-27(25)33-18-17-32-23-11-5-2-6-12-23/h1-16,19H,17-18,20H2,(H,30,31)
InChIKeySGIMISMZVQWWJV-UHFFFAOYSA-N
MW518.41 g/mol
LogP6.59
Rot. Bonds10

About 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide

2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 17130961) has the molecular formula C28H24BrNO4 and a molecular weight of 518.41 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID17130961
Molecular FormulaC28H24BrNO4
Molecular Weight518.41 g/mol
Exact Mass517.09
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C28H24BrNO4/c29-24-19-22(21-9-3-1-4-10-21)15-16-26(24)34-20-28(31)30-25-13-7-8-14-27(25)33-18-17-32-23-11-5-2-6-12-23/h1-16,19H,17-18,20H2,(H,30,31)
InChIKeySGIMISMZVQWWJV-UHFFFAOYSA-N
XLogP6.59
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.41
LogP ≤ 56.59
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

2-(2-bromo-4-phenylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131486
2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098032
2-(2-bromo-4-ethylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130889
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17113280
2-(2-bromo-4-phenylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893
2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide
CID 4960694
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17340502
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
2-(4-bromo-3-methylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130878
2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130229
2-(2-methoxyphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130870
2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 17097332

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide (CID 17130961) is 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide is O=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccccc1OCCOc1ccccc1.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is SGIMISMZVQWWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrNO4/c29-24-19-22(21-9-3-1-4-10-21)15-16-26(24)34-20-28(31)30-25-13-7-8-14-27(25)33-18-17-32-23-11-5-2-6-12-23/h1-16,19H,17-18,20H2,(H,30,31).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 518.41 g/mol, XLogP of 6.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 17130961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).