N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide

C15H12I2N2O3 — CID 137117330

IUPACN-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C\c1cc(I)c(O)c(I)c1
InChIInChI=1S/C15H12I2N2O3/c1-22-13-5-3-2-4-10(13)15(21)19-18-8-9-6-11(16)14(20)12(17)7-9/h2-8,20H,1H3,(H,19,21)/b18-8-
InChIKeyUSKBXJCPDPXKBB-LSCVHKIXSA-N
MW522.08 g/mol
LogP3.37
Rot. Bonds4

About N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide

N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 137117330) has the molecular formula C15H12I2N2O3 and a molecular weight of 522.08 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide
PubChem CID137117330
Molecular FormulaC15H12I2N2O3
Molecular Weight522.08 g/mol
Exact Mass521.89
IUPAC NameN-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C\c1cc(I)c(O)c(I)c1
InChIInChI=1S/C15H12I2N2O3/c1-22-13-5-3-2-4-10(13)15(21)19-18-8-9-6-11(16)14(20)12(17)7-9/h2-8,20H,1H3,(H,19,21)/b18-8-
InChIKeyUSKBXJCPDPXKBB-LSCVHKIXSA-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_B(215)', '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-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137117417
N-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 137062879
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136712141
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137043306
N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657766
N-[2-[[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3395997
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
N-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-[(4-methoxybenzoyl)amino]benzamide
CID 136914355
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 135720024
2-bromo-N-[4-[[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136802144
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 171985531

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide (CID 137117330) is N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide is COc1ccccc1C(=O)N/N=C\c1cc(I)c(O)c(I)c1.
What is the InChIKey of N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is USKBXJCPDPXKBB-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H12I2N2O3/c1-22-13-5-3-2-4-10(13)15(21)19-18-8-9-6-11(16)14(20)12(17)7-9/h2-8,20H,1H3,(H,19,21)/b18-8-.
What are the key properties of N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide?
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-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-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 137117330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).