2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide

C14H10Br2N2O2 — CID 4135115

IUPAC2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc(Br)ccc1O)c1ccccc1Br
InChIInChI=1S/C14H10Br2N2O2/c15-10-5-6-13(19)9(7-10)8-17-18-14(20)11-3-1-2-4-12(11)16/h1-8,19H,(H,18,20)
InChIKeyFWTZLUCTQXWVBE-UHFFFAOYSA-N
MW398.05 g/mol
LogP3.68
Rot. Bonds3

About 2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide

2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 4135115) has the molecular formula C14H10Br2N2O2 and a molecular weight of 398.05 g/mol. Its IUPAC name is 2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID4135115
Molecular FormulaC14H10Br2N2O2
Molecular Weight398.05 g/mol
Exact Mass395.91
IUPAC Name2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc(Br)ccc1O)c1ccccc1Br
InChIInChI=1S/C14H10Br2N2O2/c15-10-5-6-13(19)9(7-10)8-17-18-14(20)11-3-1-2-4-12(11)16/h1-8,19H,(H,18,20)
InChIKeyFWTZLUCTQXWVBE-UHFFFAOYSA-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_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

2-bromo-N-[4-[[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136802196
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
2-bromo-N-[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136720747
2-bromo-N-[1-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3939768
2-benzamido-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 136677269
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
CID 137203260
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5335710
2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137362013
2,4-dibromo-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide
CID 142499199
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide (CID 4135115) is 2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide is O=C(NN=Cc1cc(Br)ccc1O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is FWTZLUCTQXWVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2/c15-10-5-6-13(19)9(7-10)8-17-18-14(20)11-3-1-2-4-12(11)16/h1-8,19H,(H,18,20).
What are the key properties of 2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide?
2-bromo-N-[(5-bromo-2-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-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4135115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).