N-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane

C15H18I2N2O3 — CID 160519414

IUPACN-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane
SMILESC.CC(=O)N(O)c1ccc(I)cc1.ONc1ccc(I)cc1
InChIInChI=1S/C8H8INO2.C6H6INO.CH4/c1-6(11)10(12)8-4-2-7(9)3-5-8;7-5-1-3-6(8-9)4-2-5;/h2-5,12H,1H3;1-4,8-9H;1H4
InChIKeyQUBRMMALDGOYLJ-UHFFFAOYSA-N
MW528.13 g/mol
LogP4.76
Rot. Bonds2

About N-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane

N-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane (PubChem CID 160519414) has the molecular formula C15H18I2N2O3 and a molecular weight of 528.13 g/mol. Its IUPAC name is N-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane.

Molecular Properties

Compound NameN-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane
PubChem CID160519414
Molecular FormulaC15H18I2N2O3
Molecular Weight528.13 g/mol
Exact Mass527.94
IUPAC NameN-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane
SMILESC.CC(=O)N(O)c1ccc(I)cc1.ONc1ccc(I)cc1
InChIInChI=1S/C8H8INO2.C6H6INO.CH4/c1-6(11)10(12)8-4-2-7(9)3-5-8;7-5-1-3-6(8-9)4-2-5;/h2-5,12H,1H3;1-4,8-9H;1H4
InChIKeyQUBRMMALDGOYLJ-UHFFFAOYSA-N
XLogP4.76
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.13
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-(4-fluorophenyl)-N-hydroxyacetamide;N-(4-fluorophenyl)hydroxylamine
CID 161155407
1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate
CID 158646548
N-(4-iodophenyl)acetamide
CID 12147
N'-(4-iodophenyl)-N,N'-dimethylacetohydrazide
CID 66998219
N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide
CID 125464018
1,3-bis(4-iodophenyl)-1,3-dimethylurea
CID 101347516
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767
N-[4-[1-hydroxy-1-(4-iodophenyl)ethyl]phenyl]acetamide
CID 71145880
N-[4-(4-iodobenzoyl)phenyl]acetamide
CID 43337938
N-(3-chlorophenyl)-N-hydroxyacetamide
CID 13158205
N-(4-acetamidophenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 2942786
N-(4-iodophenyl)-N-oxidohydroxylamine
CID 58019943

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane?
The IUPAC name of N-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane (CID 160519414) is N-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane.
What is the SMILES notation for N-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane?
The canonical SMILES for N-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane is C.CC(=O)N(O)c1ccc(I)cc1.ONc1ccc(I)cc1.
What is the InChIKey of N-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane?
The InChIKey is QUBRMMALDGOYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2.C6H6INO.CH4/c1-6(11)10(12)8-4-2-7(9)3-5-8;7-5-1-3-6(8-9)4-2-5;/h2-5,12H,1H3;1-4,8-9H;1H4.
What are the key properties of N-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane?
N-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane has a molecular weight of 528.13 g/mol, XLogP of 4.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane is sourced from PubChem (CID 160519414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).