N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide

C13H8Cl3IN2O3 — CID 126006841

IUPACN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C\c1ccc(I)o1
InChIInChI=1S/C13H8Cl3IN2O3/c14-7-3-9(15)13(16)10(4-7)21-6-12(20)19-18-5-8-1-2-11(17)22-8/h1-5H,6H2,(H,19,20)/b18-5-
InChIKeyNAIJLOQIZSGSAT-DVZOWYKESA-N
MW473.48 g/mol
LogP4.37
Rot. Bonds5

About N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide

N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide (PubChem CID 126006841) has the molecular formula C13H8Cl3IN2O3 and a molecular weight of 473.48 g/mol. Its IUPAC name is N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
PubChem CID126006841
Molecular FormulaC13H8Cl3IN2O3
Molecular Weight473.48 g/mol
Exact Mass471.86
IUPAC NameN-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C\c1ccc(I)o1
InChIInChI=1S/C13H8Cl3IN2O3/c14-7-3-9(15)13(16)10(4-7)21-6-12(20)19-18-5-8-1-2-11(17)22-8/h1-5H,6H2,(H,19,20)/b18-5-
InChIKeyNAIJLOQIZSGSAT-DVZOWYKESA-N
XLogP4.37
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
CID 40988830
N,N'-bis[(E)-(5-iodofuran-2-yl)methylideneamino]propanediamide
CID 44791034
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5441397
2-(2,5-dichlorophenoxy)-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5215575
propan-2-yl 2-[4-[(Z)-[[2-(2,3,5-trichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 40988837
N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
CID 126027677
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 6871759
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 6174342
N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 3312533
N-[(5-nitrofuran-2-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3609120
2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180867
N-[(Z)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 50929978

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide (CID 126006841) is N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide is O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C\c1ccc(I)o1.
What is the InChIKey of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide?
The InChIKey is NAIJLOQIZSGSAT-DVZOWYKESA-N. The full InChI is InChI=1S/C13H8Cl3IN2O3/c14-7-3-9(15)13(16)10(4-7)21-6-12(20)19-18-5-8-1-2-11(17)22-8/h1-5H,6H2,(H,19,20)/b18-5-.
What are the key properties of N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide?
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide has a molecular weight of 473.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 126006841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).