N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide

C14H10Br2N2O3 — CID 135579277

IUPACN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccccc1
InChIInChI=1S/C14H10Br2N2O3/c15-10-6-9(12(19)11(16)13(10)20)7-17-18-14(21)8-4-2-1-3-5-8/h1-7,19-20H,(H,18,21)/b17-7+
InChIKeyMKOIUHGINSFONC-REZTVBANSA-N
MW414.05 g/mol
LogP3.39
Rot. Bonds3

About N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide

N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide (PubChem CID 135579277) has the molecular formula C14H10Br2N2O3 and a molecular weight of 414.05 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
PubChem CID135579277
Molecular FormulaC14H10Br2N2O3
Molecular Weight414.05 g/mol
Exact Mass411.91
IUPAC NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccccc1
InChIInChI=1S/C14H10Br2N2O3/c15-10-6-9(12(19)11(16)13(10)20)7-17-18-14(21)8-4-2-1-3-5-8/h1-7,19-20H,(H,18,21)/b17-7+
InChIKeyMKOIUHGINSFONC-REZTVBANSA-N
XLogP3.39
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.05
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579320
N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
CID 135579518
3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579623
4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867733
N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
CID 135867735
4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867737
(E)-4-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135412162
3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592
N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135558647
Fto-IN-13
CID 135641258
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135443041
N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-(trifluoromethyl)benzohydrazide
CID 135517032

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide (CID 135579277) is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccccc1.
What is the InChIKey of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is MKOIUHGINSFONC-REZTVBANSA-N. The full InChI is InChI=1S/C14H10Br2N2O3/c15-10-6-9(12(19)11(16)13(10)20)7-17-18-14(21)8-4-2-1-3-5-8/h1-7,19-20H,(H,18,21)/b17-7+.
What are the key properties of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide has a molecular weight of 414.05 g/mol, XLogP of 3.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135579277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).