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

C14H10BrClN2O2 — CID 135521406

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1Cl
InChIInChI=1S/C14H10BrClN2O2/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)/b17-8+
InChIKeyZBQGQODXTZYKLE-CAOOACKPSA-N
MW353.60 g/mol
LogP3.57
Rot. Bonds3

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

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide (PubChem CID 135521406) has the molecular formula C14H10BrClN2O2 and a molecular weight of 353.60 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide
PubChem CID135521406
Molecular FormulaC14H10BrClN2O2
Molecular Weight353.60 g/mol
Exact Mass351.96
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1Cl
InChIInChI=1S/C14H10BrClN2O2/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)/b17-8+
InChIKeyZBQGQODXTZYKLE-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'}

Analyze N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide (CID 135521406) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide is O=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1Cl.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide?
The InChIKey is ZBQGQODXTZYKLE-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10BrClN2O2/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)/b17-8+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide 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 N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-chlorobenzamide is sourced from PubChem (CID 135521406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).