N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide

C16H14I2N2O3 — CID 136748235

IUPACN-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2O)c1
InChIInChI=1S/C16H14I2N2O3/c1-10-3-2-4-13(5-10)23-9-15(21)20-19-8-11-6-12(17)7-14(18)16(11)22/h2-8,22H,9H2,1H3,(H,20,21)/b19-8-
InChIKeyCXJKRTLIZVWMAY-UWVJOHFNSA-N
MW536.11 g/mol
LogP3.44
Rot. Bonds5

About N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide

N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide (PubChem CID 136748235) has the molecular formula C16H14I2N2O3 and a molecular weight of 536.11 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
PubChem CID136748235
Molecular FormulaC16H14I2N2O3
Molecular Weight536.11 g/mol
Exact Mass535.91
IUPAC NameN-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2O)c1
InChIInChI=1S/C16H14I2N2O3/c1-10-3-2-4-13(5-10)23-9-15(21)20-19-8-11-6-12(17)7-14(18)16(11)22/h2-8,22H,9H2,1H3,(H,20,21)/b19-8-
InChIKeyCXJKRTLIZVWMAY-UWVJOHFNSA-N
XLogP3.44
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.11
LogP ≤ 53.44
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-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 135479567
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 135852675
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 135643908
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 4030750
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136695790
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480
2-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 135479458
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 135644038
N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide
CID 5194762
N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 5441093
N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 1249215

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide (CID 136748235) is N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)N/N=C\c2cc(I)cc(I)c2O)c1.
What is the InChIKey of N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
The InChIKey is CXJKRTLIZVWMAY-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H14I2N2O3/c1-10-3-2-4-13(5-10)23-9-15(21)20-19-8-11-6-12(17)7-14(18)16(11)22/h2-8,22H,9H2,1H3,(H,20,21)/b19-8-.
What are the key properties of N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide has a molecular weight of 536.11 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 136748235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).