N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide

C15H12BrIN2O3 — CID 137043306

IUPACN-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C\c1cc(Br)cc(I)c1O
InChIInChI=1S/C15H12BrIN2O3/c1-22-13-5-3-2-4-11(13)15(21)19-18-8-9-6-10(16)7-12(17)14(9)20/h2-8,20H,1H3,(H,19,21)/b18-8-
InChIKeyJIYIJSNAYCEIPF-LSCVHKIXSA-N
MW475.08 g/mol
LogP3.53
Rot. Bonds4

About N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide

N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 137043306) has the molecular formula C15H12BrIN2O3 and a molecular weight of 475.08 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide
PubChem CID137043306
Molecular FormulaC15H12BrIN2O3
Molecular Weight475.08 g/mol
Exact Mass473.91
IUPAC NameN-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C\c1cc(Br)cc(I)c1O
InChIInChI=1S/C15H12BrIN2O3/c1-22-13-5-3-2-4-11(13)15(21)19-18-8-9-6-10(16)7-12(17)14(9)20/h2-8,20H,1H3,(H,19,21)/b18-8-
InChIKeyJIYIJSNAYCEIPF-LSCVHKIXSA-N
XLogP3.53
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.08
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137168382
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117330
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135628735
N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505804
2-amino-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136926350
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxy-2-methylbenzamide
CID 137076884
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide
CID 6158921
N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4616734
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 2247557
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide (CID 137043306) is N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide is COc1ccccc1C(=O)N/N=C\c1cc(Br)cc(I)c1O.
What is the InChIKey of N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is JIYIJSNAYCEIPF-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H12BrIN2O3/c1-22-13-5-3-2-4-11(13)15(21)19-18-8-9-6-10(16)7-12(17)14(9)20/h2-8,20H,1H3,(H,19,21)/b18-8-.
What are the key properties of N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide?
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide has a molecular weight of 475.08 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 137043306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).