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

C14H10Br2N2O2 — CID 136852060

IUPAC2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(O)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C14H10Br2N2O2/c15-11-4-2-1-3-10(11)14(20)18-17-8-9-5-6-13(19)12(16)7-9/h1-8,19H,(H,18,20)/b17-8-
InChIKeyCHEKTZDOKBDAEH-IUXPMGMMSA-N
MW398.05 g/mol
LogP3.68
Rot. Bonds3

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

2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 136852060) has the molecular formula C14H10Br2N2O2 and a molecular weight of 398.05 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID136852060
Molecular FormulaC14H10Br2N2O2
Molecular Weight398.05 g/mol
Exact Mass395.91
IUPAC Name2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(O)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C14H10Br2N2O2/c15-11-4-2-1-3-10(11)14(20)18-17-8-9-5-6-13(19)12(16)7-9/h1-8,19H,(H,18,20)/b17-8-
InChIKeyCHEKTZDOKBDAEH-IUXPMGMMSA-N
XLogP3.68
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.05
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-bromo-N-[4-[[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 135419971
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135426068
2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 7832175
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
CID 137021200
2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide
CID 2690759
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 6899012
4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide
CID 168908017
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-bromobenzamide
CID 3358206
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-hydroxybenzamide
CID 126052608
5-[[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 1274624
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 137170315

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide (CID 136852060) is 2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(O)c(Br)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is CHEKTZDOKBDAEH-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H10Br2N2O2/c15-11-4-2-1-3-10(11)14(20)18-17-8-9-5-6-13(19)12(16)7-9/h1-8,19H,(H,18,20)/b17-8-.
What are the key properties of 2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide?
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 398.05 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136852060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).