2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide

C17H16Br2N2O4 — CID 135604458

IUPAC2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1O
InChIInChI=1S/C17H16Br2N2O4/c1-2-24-16-7-11(3-5-14(16)22)9-20-21-17(23)10-25-15-6-4-12(18)8-13(15)19/h3-9,22H,2,10H2,1H3,(H,21,23)/b20-9+
InChIKeyPUWFLJPJMGXUPI-AWQFTUOYSA-N
MW472.13 g/mol
LogP3.85
Rot. Bonds7

About 2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide

2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135604458) has the molecular formula C17H16Br2N2O4 and a molecular weight of 472.13 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135604458
Molecular FormulaC17H16Br2N2O4
Molecular Weight472.13 g/mol
Exact Mass469.95
IUPAC Name2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1O
InChIInChI=1S/C17H16Br2N2O4/c1-2-24-16-7-11(3-5-14(16)22)9-20-21-17(23)10-25-15-6-4-12(18)8-13(15)19/h3-9,22H,2,10H2,1H3,(H,21,23)/b20-9+
InChIKeyPUWFLJPJMGXUPI-AWQFTUOYSA-N
XLogP3.85
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.13
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dibromo-6-methylphenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135560414
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19208379
2-(4-bromo-2-chlorophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135589008
2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 19189995
2-(4-bromo-2-methylphenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 3422620
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
2-(2,4-dibromophenoxy)-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 5205408
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19208361
2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 5089742
4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 1249575
2-(2-bromophenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19189983
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 136671547

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide (CID 135604458) is 2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide is CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2Br)ccc1O.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is PUWFLJPJMGXUPI-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O4/c1-2-24-16-7-11(3-5-14(16)22)9-20-21-17(23)10-25-15-6-4-12(18)8-13(15)19/h3-9,22H,2,10H2,1H3,(H,21,23)/b20-9+.
What are the key properties of 2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide?
2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 472.13 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135604458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).