N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide

C15H12I2N2O3 — CID 5194762

IUPACN-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NN=Cc2cc(I)cc(I)c2O)c1
InChIInChI=1S/C15H12I2N2O3/c1-22-12-4-2-3-9(6-12)15(21)19-18-8-10-5-11(16)7-13(17)14(10)20/h2-8,20H,1H3,(H,19,21)
InChIKeyXINROYIUJOSHEG-UHFFFAOYSA-N
MW522.08 g/mol
LogP3.37
Rot. Bonds4

About N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide

N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide (PubChem CID 5194762) has the molecular formula C15H12I2N2O3 and a molecular weight of 522.08 g/mol. Its IUPAC name is N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide
PubChem CID5194762
Molecular FormulaC15H12I2N2O3
Molecular Weight522.08 g/mol
Exact Mass521.89
IUPAC NameN-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NN=Cc2cc(I)cc(I)c2O)c1
InChIInChI=1S/C15H12I2N2O3/c1-22-12-4-2-3-9(6-12)15(21)19-18-8-10-5-11(16)7-13(17)14(10)20/h2-8,20H,1H3,(H,19,21)
InChIKeyXINROYIUJOSHEG-UHFFFAOYSA-N
XLogP3.37
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.08
LogP ≤ 53.37
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-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 137172581
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137066625
4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 135894860
4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066620
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-4-propoxybenzamide
CID 136848828
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 137118711
N-[(Z)-1-(2,5-dimethoxyphenyl)-3-[(2Z)-2-[(2-hydroxy-3,5-diiodophenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 136715849
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 137076513
N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide
CID 135688473
N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 4056523

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide (CID 5194762) is N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide is COc1cccc(C(=O)NN=Cc2cc(I)cc(I)c2O)c1.
What is the InChIKey of N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide?
The InChIKey is XINROYIUJOSHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12I2N2O3/c1-22-12-4-2-3-9(6-12)15(21)19-18-8-10-5-11(16)7-13(17)14(10)20/h2-8,20H,1H3,(H,19,21).
What are the key properties of N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide?
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide has a molecular weight of 522.08 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 5194762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).