N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide

C16H15IN2O3 — CID 108531107

IUPACN'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H15IN2O3/c1-2-22-14-6-4-3-5-13(14)19-16(21)15(20)18-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyBXNIGZROXDFEFW-UHFFFAOYSA-N
MW410.21 g/mol
LogP3.27
Rot. Bonds4

About N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide

N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide (PubChem CID 108531107) has the molecular formula C16H15IN2O3 and a molecular weight of 410.21 g/mol. Its IUPAC name is N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide
PubChem CID108531107
Molecular FormulaC16H15IN2O3
Molecular Weight410.21 g/mol
Exact Mass410.01
IUPAC NameN'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H15IN2O3/c1-2-22-14-6-4-3-5-13(14)19-16(21)15(20)18-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyBXNIGZROXDFEFW-UHFFFAOYSA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.21
LogP ≤ 53.27
H-Bond Donors ≤ 52
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-[4-(dimethylamino)phenyl]-N'-(2-ethoxyphenyl)oxamide
CID 45001237
N'-(2-ethoxyphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
CID 108987263
N-(4-hydroxyphenyl)-N'-(2-propoxyphenyl)oxamide
CID 163646977
N-(4-ethoxyphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987274
N-(12-dodecacyclo[24.24.0.02,23.04,21.06,19.08,17.010,15.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6(19),7,9,11,13,15,17,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaenyl)-N'-(2-ethoxyphenyl)oxamide
CID 139970079
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
N-(2-ethoxyphenyl)-2-iodobenzamide
CID 996130
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
(E)-2,3-dichloro-4-(2-ethoxyanilino)-4-oxobut-2-enoic acid
CID 852528
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529879

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide?
The IUPAC name of N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide (CID 108531107) is N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide.
What is the SMILES notation for N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide?
The canonical SMILES for N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide is CCOc1ccccc1NC(=O)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide?
The InChIKey is BXNIGZROXDFEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O3/c1-2-22-14-6-4-3-5-13(14)19-16(21)15(20)18-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide?
N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide has a molecular weight of 410.21 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide is sourced from PubChem (CID 108531107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).