2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide

C15H11Cl2IN2O3 — CID 136718750

IUPAC2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(O)c(I)c1
InChIInChI=1S/C15H11Cl2IN2O3/c16-10-2-4-14(11(17)6-10)23-8-15(22)20-19-7-9-1-3-13(21)12(18)5-9/h1-7,21H,8H2,(H,20,22)/b19-7-
InChIKeyLUMUOOBOBWJNOC-GXHLCREISA-N
MW465.07 g/mol
LogP3.83
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide

2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide (PubChem CID 136718750) has the molecular formula C15H11Cl2IN2O3 and a molecular weight of 465.07 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
PubChem CID136718750
Molecular FormulaC15H11Cl2IN2O3
Molecular Weight465.07 g/mol
Exact Mass463.92
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(O)c(I)c1
InChIInChI=1S/C15H11Cl2IN2O3/c16-10-2-4-14(11(17)6-10)23-8-15(22)20-19-7-9-1-3-13(21)12(18)5-9/h1-7,21H,8H2,(H,20,22)/b19-7-
InChIKeyLUMUOOBOBWJNOC-GXHLCREISA-N
XLogP3.83
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.07
LogP ≤ 53.83
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

2-(2,4-dichlorophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6870038
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 667961
N-[(E)-benzylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6870666
2-[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 1233295
2-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 135479458
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5348553
2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 831066
2-(4-chloro-2-iodophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5447436
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135619927
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6143206

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide (CID 136718750) is 2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide is O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(O)c(I)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide?
The InChIKey is LUMUOOBOBWJNOC-GXHLCREISA-N. The full InChI is InChI=1S/C15H11Cl2IN2O3/c16-10-2-4-14(11(17)6-10)23-8-15(22)20-19-7-9-1-3-13(21)12(18)5-9/h1-7,21H,8H2,(H,20,22)/b19-7-.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide?
2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide has a molecular weight of 465.07 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 136718750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).