N'-[(E)-(2-iodophenyl)methylideneamino]oxamide

C9H8IN3O2 — CID 6910277

IUPACN'-[(E)-(2-iodophenyl)methylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C/c1ccccc1I
InChIInChI=1S/C9H8IN3O2/c10-7-4-2-1-3-6(7)5-12-13-9(15)8(11)14/h1-5H,(H2,11,14)(H,13,15)/b12-5+
InChIKeyWOJDPHWPBDXOFH-LFYBBSHMSA-N
MW317.09 g/mol
LogP0.23
Rot. Bonds2

About N'-[(E)-(2-iodophenyl)methylideneamino]oxamide

N'-[(E)-(2-iodophenyl)methylideneamino]oxamide (PubChem CID 6910277) has the molecular formula C9H8IN3O2 and a molecular weight of 317.09 g/mol. Its IUPAC name is N'-[(E)-(2-iodophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-iodophenyl)methylideneamino]oxamide
PubChem CID6910277
Molecular FormulaC9H8IN3O2
Molecular Weight317.09 g/mol
Exact Mass316.97
IUPAC NameN'-[(E)-(2-iodophenyl)methylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C/c1ccccc1I
InChIInChI=1S/C9H8IN3O2/c10-7-4-2-1-3-6(7)5-12-13-9(15)8(11)14/h1-5H,(H2,11,14)(H,13,15)/b12-5+
InChIKeyWOJDPHWPBDXOFH-LFYBBSHMSA-N
XLogP0.23
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.09
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-[(E)-(oxamoylhydrazinylidene)methyl]benzoic acid
CID 6907785
4-hydroxy-N-[(E)-(2-iodophenyl)methylideneamino]benzamide
CID 6906211
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 6910346
N-[(E)-(2-iodophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 124553849
3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide
CID 3586825
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485
N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6248388
N-[(2-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 2306154
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-iodophenyl)methylideneamino]oxamide?
The IUPAC name of N'-[(E)-(2-iodophenyl)methylideneamino]oxamide (CID 6910277) is N'-[(E)-(2-iodophenyl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-(2-iodophenyl)methylideneamino]oxamide?
The canonical SMILES for N'-[(E)-(2-iodophenyl)methylideneamino]oxamide is NC(=O)C(=O)N/N=C/c1ccccc1I.
What is the InChIKey of N'-[(E)-(2-iodophenyl)methylideneamino]oxamide?
The InChIKey is WOJDPHWPBDXOFH-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H8IN3O2/c10-7-4-2-1-3-6(7)5-12-13-9(15)8(11)14/h1-5H,(H2,11,14)(H,13,15)/b12-5+.
What are the key properties of N'-[(E)-(2-iodophenyl)methylideneamino]oxamide?
N'-[(E)-(2-iodophenyl)methylideneamino]oxamide has a molecular weight of 317.09 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-iodophenyl)methylideneamino]oxamide is sourced from PubChem (CID 6910277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).