N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide

C16H14Br2N2O4 — CID 136789403

IUPACN-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2O)cc1
InChIInChI=1S/C16H14Br2N2O4/c1-24-11-4-2-9(3-5-11)6-13(21)20-19-8-10-7-12(17)16(23)14(18)15(10)22/h2-5,7-8,22-23H,6H2,1H3,(H,20,21)/b19-8-
InChIKeyVBWHXBKUFVUSLU-UWVJOHFNSA-N
MW458.11 g/mol
LogP3.32
Rot. Bonds5

About N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide

N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 136789403) has the molecular formula C16H14Br2N2O4 and a molecular weight of 458.11 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
PubChem CID136789403
Molecular FormulaC16H14Br2N2O4
Molecular Weight458.11 g/mol
Exact Mass455.93
IUPAC NameN-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2O)cc1
InChIInChI=1S/C16H14Br2N2O4/c1-24-11-4-2-9(3-5-11)6-13(21)20-19-8-10-7-12(17)16(23)14(18)15(10)22/h2-5,7-8,22-23H,6H2,1H3,(H,20,21)/b19-8-
InChIKeyVBWHXBKUFVUSLU-UWVJOHFNSA-N
XLogP3.32
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.11
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-(4-chlorophenyl)-N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 137171959
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide
CID 137145842
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 137122722
N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4149416
N-[(Z)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515468
N-[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 135579484
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pentanamide
CID 136712213
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 135684764
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 136727503
N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 136749233
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 21208726

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide (CID 136789403) is N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2O)cc1.
What is the InChIKey of N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is VBWHXBKUFVUSLU-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H14Br2N2O4/c1-24-11-4-2-9(3-5-11)6-13(21)20-19-8-10-7-12(17)16(23)14(18)15(10)22/h2-5,7-8,22-23H,6H2,1H3,(H,20,21)/b19-8-.
What are the key properties of N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 458.11 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 136789403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).