N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide

C16H15IN2O4 — CID 108523939

IUPACN'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)c(OC)c1
InChIInChI=1S/C16H15IN2O4/c1-22-12-7-8-13(14(9-12)23-2)19-16(21)15(20)18-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyKZQZHWAYSKGNON-UHFFFAOYSA-N
MW426.21 g/mol
LogP2.89
Rot. Bonds4

About N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide

N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide (PubChem CID 108523939) has the molecular formula C16H15IN2O4 and a molecular weight of 426.21 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide
PubChem CID108523939
Molecular FormulaC16H15IN2O4
Molecular Weight426.21 g/mol
Exact Mass426.01
IUPAC NameN'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)c(OC)c1
InChIInChI=1S/C16H15IN2O4/c1-22-12-7-8-13(14(9-12)23-2)19-16(21)15(20)18-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyKZQZHWAYSKGNON-UHFFFAOYSA-N
XLogP2.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.21
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592
N-(2,4-dimethoxyphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987426
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
N-(2,4-dimethoxyphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4559899
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
N'-benzhydryl-N-(2,4-dimethoxyphenyl)oxamide
CID 44998153
2-N-(4-acetamidophenyl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143673

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide (CID 108523939) is N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide is COc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide?
The InChIKey is KZQZHWAYSKGNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O4/c1-22-12-7-8-13(14(9-12)23-2)19-16(21)15(20)18-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide?
N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide has a molecular weight of 426.21 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide is sourced from PubChem (CID 108523939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).