N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide

C15H12BrIN2O2 — CID 6158921

IUPACN-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide
SMILESCOc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1I
InChIInChI=1S/C15H12BrIN2O2/c1-21-14-7-6-11(16)8-10(14)9-18-19-15(20)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyQSXOSZPYKVOTKL-NVMNQCDNSA-N
MW459.08 g/mol
LogP3.83
Rot. Bonds4

About N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide

N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide (PubChem CID 6158921) has the molecular formula C15H12BrIN2O2 and a molecular weight of 459.08 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide
PubChem CID6158921
Molecular FormulaC15H12BrIN2O2
Molecular Weight459.08 g/mol
Exact Mass457.91
IUPAC NameN-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide
SMILESCOc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1I
InChIInChI=1S/C15H12BrIN2O2/c1-21-14-7-6-11(16)8-10(14)9-18-19-15(20)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyQSXOSZPYKVOTKL-NVMNQCDNSA-N
XLogP3.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.08
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(5-bromo-2-methoxyphenyl)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

Related Compounds

N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6009117
[4-bromo-2-[[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 5007822
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523448
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137043306
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5066879
2-bromo-N-[1-[2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3551447
1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 44507819
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 2247557
5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136815793
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5411322
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523654

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide?
The IUPAC name of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide (CID 6158921) is N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide is COc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1I.
What is the InChIKey of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide?
The InChIKey is QSXOSZPYKVOTKL-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12BrIN2O2/c1-21-14-7-6-11(16)8-10(14)9-18-19-15(20)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,19,20)/b18-9-.
What are the key properties of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide?
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide has a molecular weight of 459.08 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide is sourced from PubChem (CID 6158921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).