N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide

C17H16IN3O3 — CID 108516382

IUPACN'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1ccc(I)cc1C)c1cccc(N)c1
InChIInChI=1S/C17H16IN3O3/c1-10-8-12(18)6-7-15(10)20-16(23)17(24)21(11(2)22)14-5-3-4-13(19)9-14/h3-9H,19H2,1-2H3,(H,20,23)
InChIKeyICTBQPRVODAGQY-UHFFFAOYSA-N
MW437.24 g/mol
LogP2.70
Rot. Bonds2

About N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide

N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide (PubChem CID 108516382) has the molecular formula C17H16IN3O3 and a molecular weight of 437.24 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide
PubChem CID108516382
Molecular FormulaC17H16IN3O3
Molecular Weight437.24 g/mol
Exact Mass437.02
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide
SMILESCC(=O)N(C(=O)C(=O)Nc1ccc(I)cc1C)c1cccc(N)c1
InChIInChI=1S/C17H16IN3O3/c1-10-8-12(18)6-7-15(10)20-16(23)17(24)21(11(2)22)14-5-3-4-13(19)9-14/h3-9H,19H2,1-2H3,(H,20,23)
InChIKeyICTBQPRVODAGQY-UHFFFAOYSA-N
XLogP2.70
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.24
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-N'-(3-aminophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108526521
N'-acetyl-N'-(3-aminophenyl)-N-(2-cyanophenyl)oxamide
CID 108501598
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526488
N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide
CID 47335971
N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
CID 108508925
N-(4-iodo-2-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108516418
N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
CID 108516339
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
N'-(2-amino-5-methylphenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108516453
3-amino-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 78984651
N'-(2-chlorophenyl)-N-(4-iodo-2-methylphenyl)oxamide
CID 108500263

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide (CID 108516382) is N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide is CC(=O)N(C(=O)C(=O)Nc1ccc(I)cc1C)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide?
The InChIKey is ICTBQPRVODAGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16IN3O3/c1-10-8-12(18)6-7-15(10)20-16(23)17(24)21(11(2)22)14-5-3-4-13(19)9-14/h3-9H,19H2,1-2H3,(H,20,23).
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide?
N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide has a molecular weight of 437.24 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-aminophenyl)-N-(4-iodo-2-methylphenyl)oxamide is sourced from PubChem (CID 108516382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).