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

C10H7I2N3O2 — CID 3112408

IUPAC2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
SMILESN#CCC(=O)NN=Cc1cc(I)cc(I)c1O
InChIInChI=1S/C10H7I2N3O2/c11-7-3-6(10(17)8(12)4-7)5-14-15-9(16)1-2-13/h3-5,17H,1H2,(H,15,16)
InChIKeyJHSMYJNCGZAGLG-UHFFFAOYSA-N
MW454.99 g/mol
LogP1.97
Rot. Bonds3

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

2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide (PubChem CID 3112408) has the molecular formula C10H7I2N3O2 and a molecular weight of 454.99 g/mol. Its IUPAC name is 2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
PubChem CID3112408
Molecular FormulaC10H7I2N3O2
Molecular Weight454.99 g/mol
Exact Mass454.86
IUPAC Name2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
SMILESN#CCC(=O)NN=Cc1cc(I)cc(I)c1O
InChIInChI=1S/C10H7I2N3O2/c11-7-3-6(10(17)8(12)4-7)5-14-15-9(16)1-2-13/h3-5,17H,1H2,(H,15,16)
InChIKeyJHSMYJNCGZAGLG-UHFFFAOYSA-N
XLogP1.97
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.99
LogP ≤ 51.97
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'}

Analyze 2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 135894860
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 135479567
2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136800236
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 4030750
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 135643908
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 137168325
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-methoxybenzamide
CID 5194762
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-cyanoacetamide
CID 3254960
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 136748235
2-(2,4-dichlorophenoxy)-N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 135479458
4-ethoxy-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066620
2-(4-benzylpiperazin-1-yl)-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 4194435

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide (CID 3112408) is 2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide is N#CCC(=O)NN=Cc1cc(I)cc(I)c1O.
What is the InChIKey of 2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide?
The InChIKey is JHSMYJNCGZAGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7I2N3O2/c11-7-3-6(10(17)8(12)4-7)5-14-15-9(16)1-2-13/h3-5,17H,1H2,(H,15,16).
What are the key properties of 2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide?
2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide has a molecular weight of 454.99 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide is sourced from PubChem (CID 3112408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).