3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide

C14H8Br2Cl2N2O2 — CID 137361735

IUPAC3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(Cl)cc(Cl)c1O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H8Br2Cl2N2O2/c15-9-1-7(2-10(16)4-9)14(22)20-19-6-8-3-11(17)5-12(18)13(8)21/h1-6,21H,(H,20,22)/b19-6-
InChIKeyZIUNGBVDXLQELA-SWNXQHNESA-N
MW466.94 g/mol
LogP4.99
Rot. Bonds3

About 3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide

3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 137361735) has the molecular formula C14H8Br2Cl2N2O2 and a molecular weight of 466.94 g/mol. Its IUPAC name is 3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID137361735
Molecular FormulaC14H8Br2Cl2N2O2
Molecular Weight466.94 g/mol
Exact Mass463.83
IUPAC Name3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(Cl)cc(Cl)c1O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H8Br2Cl2N2O2/c15-9-1-7(2-10(16)4-9)14(22)20-19-6-8-3-11(17)5-12(18)13(8)21/h1-6,21H,(H,20,22)/b19-6-
InChIKeyZIUNGBVDXLQELA-SWNXQHNESA-N
XLogP4.99
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.94
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

3-bromo-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 5196693
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide
CID 136680564
[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]urea
CID 793144
copper;N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide;diacetate
CID 135510087
4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3365256
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135623996
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
CID 137167158
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide
CID 136904981
3,5-dibromo-N-[(Z)-(4-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 137362064
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 615778
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135562319
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136794136

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide (CID 137361735) is 3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1cc(Cl)cc(Cl)c1O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is ZIUNGBVDXLQELA-SWNXQHNESA-N. The full InChI is InChI=1S/C14H8Br2Cl2N2O2/c15-9-1-7(2-10(16)4-9)14(22)20-19-6-8-3-11(17)5-12(18)13(8)21/h1-6,21H,(H,20,22)/b19-6-.
What are the key properties of 3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 466.94 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137361735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).