N'-(4-iodo-2-methylphenyl)-N-methyloxamide

C10H11IN2O2 — CID 47224837

IUPACN'-(4-iodo-2-methylphenyl)-N-methyloxamide
SMILESCNC(=O)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C10H11IN2O2/c1-6-5-7(11)3-4-8(6)13-10(15)9(14)12-2/h3-5H,1-2H3,(H,12,14)(H,13,15)
InChIKeyWKCHISRGZDEUQK-UHFFFAOYSA-N
MW318.11 g/mol
LogP1.28
Rot. Bonds1

About N'-(4-iodo-2-methylphenyl)-N-methyloxamide

N'-(4-iodo-2-methylphenyl)-N-methyloxamide (PubChem CID 47224837) has the molecular formula C10H11IN2O2 and a molecular weight of 318.11 g/mol. Its IUPAC name is N'-(4-iodo-2-methylphenyl)-N-methyloxamide.

Molecular Properties

Compound NameN'-(4-iodo-2-methylphenyl)-N-methyloxamide
PubChem CID47224837
Molecular FormulaC10H11IN2O2
Molecular Weight318.11 g/mol
Exact Mass317.99
IUPAC NameN'-(4-iodo-2-methylphenyl)-N-methyloxamide
SMILESCNC(=O)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C10H11IN2O2/c1-6-5-7(11)3-4-8(6)13-10(15)9(14)12-2/h3-5H,1-2H3,(H,12,14)(H,13,15)
InChIKeyWKCHISRGZDEUQK-UHFFFAOYSA-N
XLogP1.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604
N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516391
N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108500263
N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47226232
N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108516453
N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225790
N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide
CID 47224422
N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide
CID 90975910
N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836927
N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108512029
N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516409
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967

Frequently Asked Questions

What is the IUPAC name of N'-(4-iodo-2-methylphenyl)-N-methyloxamide?
The IUPAC name of N'-(4-iodo-2-methylphenyl)-N-methyloxamide (CID 47224837) is N'-(4-iodo-2-methylphenyl)-N-methyloxamide.
What is the SMILES notation for N'-(4-iodo-2-methylphenyl)-N-methyloxamide?
The canonical SMILES for N'-(4-iodo-2-methylphenyl)-N-methyloxamide is CNC(=O)C(=O)Nc1ccc(I)cc1C.
What is the InChIKey of N'-(4-iodo-2-methylphenyl)-N-methyloxamide?
The InChIKey is WKCHISRGZDEUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O2/c1-6-5-7(11)3-4-8(6)13-10(15)9(14)12-2/h3-5H,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N'-(4-iodo-2-methylphenyl)-N-methyloxamide?
N'-(4-iodo-2-methylphenyl)-N-methyloxamide has a molecular weight of 318.11 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-iodo-2-methylphenyl)-N-methyloxamide is sourced from PubChem (CID 47224837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).