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

C12H15IN2O3 — CID 47225790

IUPACN-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)NCC(C)O
InChIInChI=1S/C12H15IN2O3/c1-7-5-9(13)3-4-10(7)15-12(18)11(17)14-6-8(2)16/h3-5,8,16H,6H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyWCKQAJOUKBAISH-UHFFFAOYSA-N
MW362.17 g/mol
LogP1.04
Rot. Bonds3

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

N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide (PubChem CID 47225790) has the molecular formula C12H15IN2O3 and a molecular weight of 362.17 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide
PubChem CID47225790
Molecular FormulaC12H15IN2O3
Molecular Weight362.17 g/mol
Exact Mass362.01
IUPAC NameN-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide
SMILESCc1cc(I)ccc1NC(=O)C(=O)NCC(C)O
InChIInChI=1S/C12H15IN2O3/c1-7-5-9(13)3-4-10(7)15-12(18)11(17)14-6-8(2)16/h3-5,8,16H,6H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyWCKQAJOUKBAISH-UHFFFAOYSA-N
XLogP1.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 51.04
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'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516409
N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516391
N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47226232
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
N-[3-(dimethylamino)propyl]-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225107
N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide
CID 108521402
N'-(2,3-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2223011
N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108516418
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
N'-(4-amino-2-chlorophenyl)-N-(2-hydroxypropyl)oxamide
CID 108516000
N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108500263

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide?
The IUPAC name of N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide (CID 47225790) is N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide is Cc1cc(I)ccc1NC(=O)C(=O)NCC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide?
The InChIKey is WCKQAJOUKBAISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O3/c1-7-5-9(13)3-4-10(7)15-12(18)11(17)14-6-8(2)16/h3-5,8,16H,6H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide?
N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide has a molecular weight of 362.17 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide is sourced from PubChem (CID 47225790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).