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

C23H22BrNO4 — CID 17340502

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1
InChIInChI=1S/C23H22BrNO4/c1-27-13-14-28-20-10-8-19(9-11-20)25-23(26)16-29-22-12-7-18(15-21(22)24)17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,25,26)
InChIKeyVDXYYMMAZNTUBN-UHFFFAOYSA-N
MW456.34 g/mol
LogP5.16
Rot. Bonds9

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

2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide (PubChem CID 17340502) has the molecular formula C23H22BrNO4 and a molecular weight of 456.34 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
PubChem CID17340502
Molecular FormulaC23H22BrNO4
Molecular Weight456.34 g/mol
Exact Mass455.07
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1
InChIInChI=1S/C23H22BrNO4/c1-27-13-14-28-20-10-8-19(9-11-20)25-23(26)16-29-22-12-7-18(15-21(22)24)17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,25,26)
InChIKeyVDXYYMMAZNTUBN-UHFFFAOYSA-N
XLogP5.16
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.34
LogP ≤ 55.16
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-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893
2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130229
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235437
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194079
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130961
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17189592
2-(2-bromo-4-phenylphenoxy)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 17097332
2-(2-bromo-4-phenylphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 4960656
2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4960689
2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 17066936

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide (CID 17340502) is 2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide is COCCOc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
The InChIKey is VDXYYMMAZNTUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO4/c1-27-13-14-28-20-10-8-19(9-11-20)25-23(26)16-29-22-12-7-18(15-21(22)24)17-5-3-2-4-6-17/h2-12,15H,13-14,16H2,1H3,(H,25,26).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide has a molecular weight of 456.34 g/mol, XLogP of 5.16, 9 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-[4-(2-methoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 17340502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).