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

C24H22BrNO3 — CID 17113280

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C24H22BrNO3/c1-17(2)15-28-23-11-7-6-10-21(23)26-24(27)16-29-22-13-12-19(14-20(22)25)18-8-4-3-5-9-18/h3-14H,1,15-16H2,2H3,(H,26,27)
InChIKeyNNQKRLNZKSLAGN-UHFFFAOYSA-N
MW452.35 g/mol
LogP6.09
Rot. Bonds8

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

2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide (PubChem CID 17113280) has the molecular formula C24H22BrNO3 and a molecular weight of 452.35 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
PubChem CID17113280
Molecular FormulaC24H22BrNO3
Molecular Weight452.35 g/mol
Exact Mass451.08
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
SMILESC=C(C)COc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Br
InChIInChI=1S/C24H22BrNO3/c1-17(2)15-28-23-11-7-6-10-21(23)26-24(27)16-29-22-13-12-19(14-20(22)25)18-8-4-3-5-9-18/h3-14H,1,15-16H2,2H3,(H,26,27)
InChIKeyNNQKRLNZKSLAGN-UHFFFAOYSA-N
XLogP6.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.35
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-phenylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098032
2-(2-bromo-4-phenylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131486
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130961
2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide
CID 4960694
2-(2-bromo-4-phenylphenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17170263
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-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235437
2-(3,4-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17113230
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163
2-(2-bromo-4-phenylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide (CID 17113280) is 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide is C=C(C)COc1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1Br.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide?
The InChIKey is NNQKRLNZKSLAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrNO3/c1-17(2)15-28-23-11-7-6-10-21(23)26-24(27)16-29-22-13-12-19(14-20(22)25)18-8-4-3-5-9-18/h3-14H,1,15-16H2,2H3,(H,26,27).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide has a molecular weight of 452.35 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 17113280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).