tert-butyl N-(4-iodophenyl)carbamate

C11H14INO2 — CID 2773612

IUPACtert-butyl N-(4-iodophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H14INO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyCGALRQWBJFDAKN-UHFFFAOYSA-N
MW319.14 g/mol
LogP3.64
Rot. Bonds1

About tert-butyl N-(4-iodophenyl)carbamate

tert-butyl N-(4-iodophenyl)carbamate (PubChem CID 2773612) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is tert-butyl N-(4-iodophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-iodophenyl)carbamate
PubChem CID2773612
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC Nametert-butyl N-(4-iodophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H14INO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyCGALRQWBJFDAKN-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl N-(4-iodophenyl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-iodophenyl)carbamate?
The IUPAC name of tert-butyl N-(4-iodophenyl)carbamate (CID 2773612) is tert-butyl N-(4-iodophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-iodophenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-iodophenyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(I)cc1.
What is the InChIKey of tert-butyl N-(4-iodophenyl)carbamate?
The InChIKey is CGALRQWBJFDAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(4-iodophenyl)carbamate?
tert-butyl N-(4-iodophenyl)carbamate has a molecular weight of 319.14 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-iodophenyl)carbamate is sourced from PubChem (CID 2773612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).