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

C14H10BrIN2O2 — CID 135559913

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1I
InChIInChI=1S/C14H10BrIN2O2/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+
InChIKeyDQPCBOHSFLRKBL-CAOOACKPSA-N
MW445.05 g/mol
LogP3.52
Rot. Bonds3

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

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide (PubChem CID 135559913) has the molecular formula C14H10BrIN2O2 and a molecular weight of 445.05 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
PubChem CID135559913
Molecular FormulaC14H10BrIN2O2
Molecular Weight445.05 g/mol
Exact Mass443.90
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1I
InChIInChI=1S/C14H10BrIN2O2/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+
InChIKeyDQPCBOHSFLRKBL-CAOOACKPSA-N
XLogP3.52
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.05
LogP ≤ 53.52
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide 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-iodobenzamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide (CID 135559913) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide is O=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1I.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide?
The InChIKey is DQPCBOHSFLRKBL-CAOOACKPSA-N. The full InChI is InChI=1S/C14H10BrIN2O2/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-iodobenzamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide has a molecular weight of 445.05 g/mol, XLogP of 3.52, 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-iodobenzamide is sourced from PubChem (CID 135559913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).