N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide

C15H13IN2O3 — CID 108532032

IUPACN'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)c(O)c1
InChIInChI=1S/C15H13IN2O3/c1-9-2-7-12(13(19)8-9)18-15(21)14(20)17-11-5-3-10(16)4-6-11/h2-8,19H,1H3,(H,17,20)(H,18,21)
InChIKeyUWFSDWJMTHESGV-UHFFFAOYSA-N
MW396.18 g/mol
LogP2.88
Rot. Bonds2

About N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide

N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide (PubChem CID 108532032) has the molecular formula C15H13IN2O3 and a molecular weight of 396.18 g/mol. Its IUPAC name is N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide
PubChem CID108532032
Molecular FormulaC15H13IN2O3
Molecular Weight396.18 g/mol
Exact Mass396.00
IUPAC NameN'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)c(O)c1
InChIInChI=1S/C15H13IN2O3/c1-9-2-7-12(13(19)8-9)18-15(21)14(20)17-11-5-3-10(16)4-6-11/h2-8,19H,1H3,(H,17,20)(H,18,21)
InChIKeyUWFSDWJMTHESGV-UHFFFAOYSA-N
XLogP2.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108523165
N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108530456
N'-(3-acetamidophenyl)-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108526616
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
N-(2-hydroxy-4-methylphenyl)-4-(propanoylamino)benzamide
CID 6458962
2-[(4-iodophenyl)carbamoylamino]-5-methylbenzoic acid
CID 63549498
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
N'-(2-amino-5-methylphenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502143
N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526288
N'-(2,4-dimethoxyphenyl)-N-(4-iodophenyl)oxamide
CID 108523939

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide?
The IUPAC name of N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide (CID 108532032) is N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide.
What is the SMILES notation for N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide?
The canonical SMILES for N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)c(O)c1.
What is the InChIKey of N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide?
The InChIKey is UWFSDWJMTHESGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O3/c1-9-2-7-12(13(19)8-9)18-15(21)14(20)17-11-5-3-10(16)4-6-11/h2-8,19H,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide?
N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide has a molecular weight of 396.18 g/mol, XLogP of 2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide is sourced from PubChem (CID 108532032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).