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

C14H11BrN2O2 — CID 135641592

IUPAC3-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1cccc(Br)c1
InChIInChI=1S/C14H11BrN2O2/c15-12-6-3-5-10(8-12)14(19)17-16-9-11-4-1-2-7-13(11)18/h1-9,18H,(H,17,19)/b16-9+
InChIKeyQEXIQGCBAFBJNW-CXUHLZMHSA-N
MW319.16 g/mol
LogP2.92
Rot. Bonds3

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

3-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135641592) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 3-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135641592
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name3-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1O)c1cccc(Br)c1
InChIInChI=1S/C14H11BrN2O2/c15-12-6-3-5-10(8-12)14(19)17-16-9-11-4-1-2-7-13(11)18/h1-9,18H,(H,17,19)/b16-9+
InChIKeyQEXIQGCBAFBJNW-CXUHLZMHSA-N
XLogP2.92
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.92
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 3-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide (CID 135641592) is 3-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccccc1O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is QEXIQGCBAFBJNW-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-12-6-3-5-10(8-12)14(19)17-16-9-11-4-1-2-7-13(11)18/h1-9,18H,(H,17,19)/b16-9+.
What are the key properties of 3-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide?
3-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 319.16 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135641592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).