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

C14H10BrClN2O2 — CID 135460546

IUPAC2-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Cl)ccc1O)c1ccccc1Br
InChIInChI=1S/C14H10BrClN2O2/c15-12-4-2-1-3-11(12)14(20)18-17-8-9-7-10(16)5-6-13(9)19/h1-8,19H,(H,18,20)/b17-8+
InChIKeyJPRKZUOLLPBRCW-CAOOACKPSA-N
MW353.60 g/mol
LogP3.57
Rot. Bonds3

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

2-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135460546) has the molecular formula C14H10BrClN2O2 and a molecular weight of 353.60 g/mol. Its IUPAC name is 2-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135460546
Molecular FormulaC14H10BrClN2O2
Molecular Weight353.60 g/mol
Exact Mass351.96
IUPAC Name2-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cc(Cl)ccc1O)c1ccccc1Br
InChIInChI=1S/C14H10BrClN2O2/c15-12-4-2-1-3-11(12)14(20)18-17-8-9-7-10(16)5-6-13(9)19/h1-8,19H,(H,18,20)/b17-8+
InChIKeyJPRKZUOLLPBRCW-CAOOACKPSA-N
XLogP3.57
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide (CID 135460546) is 2-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1cc(Cl)ccc1O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is JPRKZUOLLPBRCW-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10BrClN2O2/c15-12-4-2-1-3-11(12)14(20)18-17-8-9-7-10(16)5-6-13(9)19/h1-8,19H,(H,18,20)/b17-8+.
What are the key properties of 2-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide?
2-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 353.60 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135460546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).