2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide

C24H23BrN2O4 — CID 19190663

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCCOc1c(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cccc1OC
InChIInChI=1S/C24H23BrN2O4/c1-3-30-24-19(10-7-11-22(24)29-2)15-26-27-23(28)16-31-21-13-12-18(14-20(21)25)17-8-5-4-6-9-17/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15+
InChIKeyVPXVBALYENAPGA-CVKSISIWSA-N
MW483.36 g/mol
LogP5.05
Rot. Bonds9

About 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide

2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 19190663) has the molecular formula C24H23BrN2O4 and a molecular weight of 483.36 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID19190663
Molecular FormulaC24H23BrN2O4
Molecular Weight483.36 g/mol
Exact Mass482.08
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCCOc1c(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cccc1OC
InChIInChI=1S/C24H23BrN2O4/c1-3-30-24-19(10-7-11-22(24)29-2)15-26-27-23(28)16-31-21-13-12-18(14-20(21)25)17-8-5-4-6-9-17/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15+
InChIKeyVPXVBALYENAPGA-CVKSISIWSA-N
XLogP5.05
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.36
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190660
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 19190538
2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 4981068
2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 19190177
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6231272
2-(2-bromo-4-ethylphenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 4628414
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 135825107
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4922199
2-(2-bromo-4-phenylphenoxy)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190081
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135899617
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide (CID 19190663) is 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide is CCOc1c(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cccc1OC.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is VPXVBALYENAPGA-CVKSISIWSA-N. The full InChI is InChI=1S/C24H23BrN2O4/c1-3-30-24-19(10-7-11-22(24)29-2)15-26-27-23(28)16-31-21-13-12-18(14-20(21)25)17-8-5-4-6-9-17/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15+.
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 483.36 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19190663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).