2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide

C16H14Br2N2O5 — CID 136749314

IUPAC2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(Br)cc(Br)c1OCC(=O)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C16H14Br2N2O5/c1-24-14-5-10(17)4-12(18)16(14)25-8-15(23)20-19-7-9-2-3-11(21)6-13(9)22/h2-7,21-22H,8H2,1H3,(H,20,23)/b19-7-
InChIKeyDOZPACWQFBKQBG-GXHLCREISA-N
MW474.11 g/mol
LogP3.16
Rot. Bonds6

About 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide

2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 136749314) has the molecular formula C16H14Br2N2O5 and a molecular weight of 474.11 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID136749314
Molecular FormulaC16H14Br2N2O5
Molecular Weight474.11 g/mol
Exact Mass471.93
IUPAC Name2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(Br)cc(Br)c1OCC(=O)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C16H14Br2N2O5/c1-24-14-5-10(17)4-12(18)16(14)25-8-15(23)20-19-7-9-2-3-11(21)6-13(9)22/h2-7,21-22H,8H2,1H3,(H,20,23)/b19-7-
InChIKeyDOZPACWQFBKQBG-GXHLCREISA-N
XLogP3.16
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.11
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

N-[(E)-(5-bromo-2,3,4-trihydroxyphenyl)methylideneamino]-2-(2,4-dibromo-6-methoxyphenoxy)acetamide
CID 135479546
N-[(E)-(2,3-dibromo-4,5-dihydroxyphenyl)methylideneamino]-2-(2,4-dibromo-6-methoxyphenoxy)acetamide
CID 135479543
2-(2-bromo-4-methoxyphenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135479468
3-bromo-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethoxy-5-methoxybenzamide
CID 135811577
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 135688670
2-(4-bromo-2-methoxyphenoxy)-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 1246272
2-[(Z)-[[2-(2,4-dibromo-6-methoxyphenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 6109313
2-(2,4-dibromo-6-methoxyphenoxy)-N-[(3-iodophenyl)methylideneamino]acetamide
CID 4027319
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135470918
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135781705
2-[2,4-dibromo-6-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6300600
[2-benzoyloxy-4-[(E)-[[2-(2,4-dibromo-6-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 171980794

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide (CID 136749314) is 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is COc1cc(Br)cc(Br)c1OCC(=O)N/N=C\c1ccc(O)cc1O.
What is the InChIKey of 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is DOZPACWQFBKQBG-GXHLCREISA-N. The full InChI is InChI=1S/C16H14Br2N2O5/c1-24-14-5-10(17)4-12(18)16(14)25-8-15(23)20-19-7-9-2-3-11(21)6-13(9)22/h2-7,21-22H,8H2,1H3,(H,20,23)/b19-7-.
What are the key properties of 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide?
2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 474.11 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-methoxyphenoxy)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136749314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).