N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide

C16H16IN3O2 — CID 108516453

IUPACN'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
SMILESCc1ccc(N)c(NC(=O)C(=O)Nc2ccc(I)cc2C)c1
InChIInChI=1S/C16H16IN3O2/c1-9-3-5-12(18)14(7-9)20-16(22)15(21)19-13-6-4-11(17)8-10(13)2/h3-8H,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyLNBZSGAGKMIXTD-UHFFFAOYSA-N
MW409.23 g/mol
LogP3.07
Rot. Bonds2

About N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide

N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide (PubChem CID 108516453) has the molecular formula C16H16IN3O2 and a molecular weight of 409.23 g/mol. Its IUPAC name is N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
PubChem CID108516453
Molecular FormulaC16H16IN3O2
Molecular Weight409.23 g/mol
Exact Mass409.03
IUPAC NameN'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
SMILESCc1ccc(N)c(NC(=O)C(=O)Nc2ccc(I)cc2C)c1
InChIInChI=1S/C16H16IN3O2/c1-9-3-5-12(18)14(7-9)20-16(22)15(21)19-13-6-4-11(17)8-10(13)2/h3-8H,18H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyLNBZSGAGKMIXTD-UHFFFAOYSA-N
XLogP3.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
N'-(2-amino-5-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108532401
N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide
CID 90975910
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-(2-amino-5-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532425
N'-(2-amino-5-methylphenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502143
N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516391
N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108500263
N'-(2-amino-5-methylphenyl)-N-(3,5-dichlorophenyl)oxamide
CID 108531086
4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 63188157
N-(2-acetamidoethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47226232
N-(3-acetamidophenyl)-N'-(2-amino-5-methylphenyl)oxamide
CID 108526668

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide?
The IUPAC name of N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide (CID 108516453) is N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide.
What is the SMILES notation for N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide?
The canonical SMILES for N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide is Cc1ccc(N)c(NC(=O)C(=O)Nc2ccc(I)cc2C)c1.
What is the InChIKey of N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide?
The InChIKey is LNBZSGAGKMIXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN3O2/c1-9-3-5-12(18)14(7-9)20-16(22)15(21)19-13-6-4-11(17)8-10(13)2/h3-8H,18H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide?
N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide has a molecular weight of 409.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide is sourced from PubChem (CID 108516453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).