N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide

C11H13IN2O3 — CID 108516391

IUPACN-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)NCCO
InChIInChI=1S/C11H13IN2O3/c1-7-6-8(12)2-3-9(7)14-11(17)10(16)13-4-5-15/h2-3,6,15H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyKREGMPHDXKTYRZ-UHFFFAOYSA-N
MW348.14 g/mol
LogP0.65
Rot. Bonds3

About N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide

N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide (PubChem CID 108516391) has the molecular formula C11H13IN2O3 and a molecular weight of 348.14 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
PubChem CID108516391
Molecular FormulaC11H13IN2O3
Molecular Weight348.14 g/mol
Exact Mass348.00
IUPAC NameN-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)NCCO
InChIInChI=1S/C11H13IN2O3/c1-7-6-8(12)2-3-9(7)14-11(17)10(16)13-4-5-15/h2-3,6,15H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyKREGMPHDXKTYRZ-UHFFFAOYSA-N
XLogP0.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47226232
N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225107
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516409
N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225790
1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea
CID 119026718
N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108500263
N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108516453
N'-(4-fluoro-2-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 124624751
N'-(2-ethyl-6-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108512029
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108513846

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide?
The IUPAC name of N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide (CID 108516391) is N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide is Cc1cc(I)ccc1NC(=O)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide?
The InChIKey is KREGMPHDXKTYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O3/c1-7-6-8(12)2-3-9(7)14-11(17)10(16)13-4-5-15/h2-3,6,15H,4-5H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide?
N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide has a molecular weight of 348.14 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide is sourced from PubChem (CID 108516391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).