N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide

C18H19IN2O2 — CID 108529818

IUPACN-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide
SMILESCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C18H19IN2O2/c1-18(2,3)12-4-8-14(9-5-12)20-16(22)17(23)21-15-10-6-13(19)7-11-15/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyNAEDGMORQTVJHU-UHFFFAOYSA-N
MW422.27 g/mol
LogP4.17
Rot. Bonds2

About N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide

N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide (PubChem CID 108529818) has the molecular formula C18H19IN2O2 and a molecular weight of 422.27 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide
PubChem CID108529818
Molecular FormulaC18H19IN2O2
Molecular Weight422.27 g/mol
Exact Mass422.05
IUPAC NameN-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide
SMILESCC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C18H19IN2O2/c1-18(2,3)12-4-8-14(9-5-12)20-16(22)17(23)21-15-10-6-13(19)7-11-15/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyNAEDGMORQTVJHU-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[1-hydroxy-1-(4-iodophenyl)ethyl]phenyl]acetamide
CID 71145880
acetic acid;1-tert-butyl-4-iodobenzene
CID 172850232
N-(4-tert-butylphenyl)-N'-(2-hydroxyphenyl)oxamide
CID 108514330
N-(4-iodophenyl)acetamide
CID 12147
N'-(4-tert-butylphenyl)-N-(cyanomethyl)oxamide
CID 43315681
N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide
CID 108530450
N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
CID 108525928
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
N-(4-tert-butylphenyl)-2-cyano-3-hydroxybut-2-enamide
CID 67933363
N'-(2-amino-5-methylphenyl)-N-(4-tert-butylphenyl)oxamide
CID 108529851
N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456250

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide (CID 108529818) is N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide is CC(C)(C)c1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide?
The InChIKey is NAEDGMORQTVJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O2/c1-18(2,3)12-4-8-14(9-5-12)20-16(22)17(23)21-15-10-6-13(19)7-11-15/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide?
N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide has a molecular weight of 422.27 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide is sourced from PubChem (CID 108529818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).