N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide

C16H12IN3O2 — CID 7326687

IUPACN-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
SMILESN#Cc1ccc(/C=N\NC(=O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C16H12IN3O2/c17-14-5-7-15(8-6-14)22-11-16(21)20-19-10-13-3-1-12(9-18)2-4-13/h1-8,10H,11H2,(H,20,21)/b19-10-
InChIKeyMDJJXTYRUDLEEU-GRSHGNNSSA-N
MW405.20 g/mol
LogP2.69
Rot. Bonds5

About N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide

N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide (PubChem CID 7326687) has the molecular formula C16H12IN3O2 and a molecular weight of 405.20 g/mol. Its IUPAC name is N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
PubChem CID7326687
Molecular FormulaC16H12IN3O2
Molecular Weight405.20 g/mol
Exact Mass405.00
IUPAC NameN-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
SMILESN#Cc1ccc(/C=N\NC(=O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C16H12IN3O2/c17-14-5-7-15(8-6-14)22-11-16(21)20-19-10-13-3-1-12(9-18)2-4-13/h1-8,10H,11H2,(H,20,21)/b19-10-
InChIKeyMDJJXTYRUDLEEU-GRSHGNNSSA-N
XLogP2.69
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
CID 2431577
methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 1381755
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910962
N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 833030
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 135614205
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 42991602
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
CID 3979326
N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992119
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5348553
2-phenoxy-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663646

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide (CID 7326687) is N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide is N#Cc1ccc(/C=N\NC(=O)COc2ccc(I)cc2)cc1.
What is the InChIKey of N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
The InChIKey is MDJJXTYRUDLEEU-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H12IN3O2/c17-14-5-7-15(8-6-14)22-11-16(21)20-19-10-13-3-1-12(9-18)2-4-13/h1-8,10H,11H2,(H,20,21)/b19-10-.
What are the key properties of N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide?
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide has a molecular weight of 405.20 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 7326687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).