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

C16H14Br2N2O3 — CID 135452797

IUPACN-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C16H14Br2N2O3/c1-23-12-4-2-10(3-5-12)8-15(21)20-19-9-11-6-13(17)16(22)14(18)7-11/h2-7,9,22H,8H2,1H3,(H,20,21)/b19-9-
InChIKeyFYNDRKFZLLNUNM-OCKHKDLRSA-N
MW442.11 g/mol
LogP3.62
Rot. Bonds5

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

N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 135452797) has the molecular formula C16H14Br2N2O3 and a molecular weight of 442.11 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
PubChem CID135452797
Molecular FormulaC16H14Br2N2O3
Molecular Weight442.11 g/mol
Exact Mass439.94
IUPAC NameN-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C16H14Br2N2O3/c1-23-12-4-2-10(3-5-12)8-15(21)20-19-9-11-6-13(17)16(22)14(18)7-11/h2-7,9,22H,8H2,1H3,(H,20,21)/b19-9-
InChIKeyFYNDRKFZLLNUNM-OCKHKDLRSA-N
XLogP3.62
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.11
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135443041
N'-(5-Bromo-2-hydroxybenzylidene)-4-methoxybenzohydrazide
CID 135403152
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
CID 285507
3,5-dibromo-4-hydroxy-N'-[(E)-(4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide
CID 25237251
N'-[(Z)-(3-bromo-4-methoxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 25237222
Carbohydrazide derivative, 3r
CID 135867738
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-[2-(dimethylamino)ethoxy]benzamide
CID 137317288
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(trifluoromethoxy)benzamide
CID 136200835
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide
CID 137362357
N'-[(Z)-(3-bromo-4-methoxyphenyl)methylidene]-2-hydroxybenzohydrazide (17)
CID 5425946
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 6895130
2-Phenylacetic (4-methoxybenzylidene)hydrazide
CID 6870872

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide (CID 135452797) is N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cc1.
What is the InChIKey of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is FYNDRKFZLLNUNM-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14Br2N2O3/c1-23-12-4-2-10(3-5-12)8-15(21)20-19-9-11-6-13(17)16(22)14(18)7-11/h2-7,9,22H,8H2,1H3,(H,20,21)/b19-9-.
What are the key properties of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 442.11 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 135452797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).