4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide

C14H8Br4N2O2 — CID 5333871

IUPAC4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(Br)cc(Br)c(O)c1Br)c1ccc(Br)cc1
InChIInChI=1S/C14H8Br4N2O2/c15-8-3-1-7(2-4-8)14(22)20-19-6-9-10(16)5-11(17)13(21)12(9)18/h1-6,21H,(H,20,22)/b19-6-
InChIKeyGUUBPDFTOQIVIN-SWNXQHNESA-N
MW555.85 g/mol
LogP5.21
Rot. Bonds3

About 4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide

4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 5333871) has the molecular formula C14H8Br4N2O2 and a molecular weight of 555.85 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
PubChem CID5333871
Molecular FormulaC14H8Br4N2O2
Molecular Weight555.85 g/mol
Exact Mass551.73
IUPAC Name4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(Br)cc(Br)c(O)c1Br)c1ccc(Br)cc1
InChIInChI=1S/C14H8Br4N2O2/c15-8-3-1-7(2-4-8)14(22)20-19-6-9-10(16)5-11(17)13(21)12(9)18/h1-6,21H,(H,20,22)/b19-6-
InChIKeyGUUBPDFTOQIVIN-SWNXQHNESA-N
XLogP5.21
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.85
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
CID 3300390
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136789352
4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4291162
4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 172960317
3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide
CID 5331660
4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide
CID 1245899
N-[(E)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 44615960
4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135576312
2,4,6-tribromo-3-[(phenylhydrazinylidene)methyl]phenol
CID 169381666
N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
CID 136786921
4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 135458900

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide (CID 5333871) is 4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1c(Br)cc(Br)c(O)c1Br)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is GUUBPDFTOQIVIN-SWNXQHNESA-N. The full InChI is InChI=1S/C14H8Br4N2O2/c15-8-3-1-7(2-4-8)14(22)20-19-6-9-10(16)5-11(17)13(21)12(9)18/h1-6,21H,(H,20,22)/b19-6-.
What are the key properties of 4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide?
4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 555.85 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5333871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).