N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide

C16H15IN2O3 — CID 136863946

IUPACN-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N/N=C\c1cc(I)ccc1O
InChIInChI=1S/C16H15IN2O3/c1-11-4-2-3-5-15(11)22-10-16(21)19-18-9-12-8-13(17)6-7-14(12)20/h2-9,20H,10H2,1H3,(H,19,21)/b18-9-
InChIKeyKPTQIJNPKYYAGB-NVMNQCDNSA-N
MW410.21 g/mol
LogP2.83
Rot. Bonds5

About N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide

N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide (PubChem CID 136863946) has the molecular formula C16H15IN2O3 and a molecular weight of 410.21 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
PubChem CID136863946
Molecular FormulaC16H15IN2O3
Molecular Weight410.21 g/mol
Exact Mass410.01
IUPAC NameN-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N/N=C\c1cc(I)ccc1O
InChIInChI=1S/C16H15IN2O3/c1-11-4-2-3-5-15(11)22-10-16(21)19-18-9-12-8-13(17)6-7-14(12)20/h2-9,20H,10H2,1H3,(H,19,21)/b18-9-
InChIKeyKPTQIJNPKYYAGB-NVMNQCDNSA-N
XLogP2.83
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.21
LogP ≤ 52.83
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-[(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1237454
2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135884080
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135619927
N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 136882181
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135884295
2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
2-(2,5-dimethylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135560510
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 3423079
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-hydroxyphenoxy)acetamide
CID 136732387
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135688686
N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136794053
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide (CID 136863946) is N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)N/N=C\c1cc(I)ccc1O.
What is the InChIKey of N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The InChIKey is KPTQIJNPKYYAGB-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H15IN2O3/c1-11-4-2-3-5-15(11)22-10-16(21)19-18-9-12-8-13(17)6-7-14(12)20/h2-9,20H,10H2,1H3,(H,19,21)/b18-9-.
What are the key properties of N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide?
N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide has a molecular weight of 410.21 g/mol, XLogP of 2.83, 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-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 136863946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).