tert-butyl N-(4-amino-3,5-diiodophenyl)carbamate

C11H14I2N2O2 — CID 15273422

IUPACtert-butyl N-(4-amino-3,5-diiodophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(I)c(N)c(I)c1
InChIInChI=1S/C11H14I2N2O2/c1-11(2,3)17-10(16)15-6-4-7(12)9(14)8(13)5-6/h4-5H,14H2,1-3H3,(H,15,16)
InChIKeyDEELTJVFMZZPKO-UHFFFAOYSA-N
MW460.05 g/mol
LogP3.83
Rot. Bonds1

About tert-butyl N-(4-amino-3,5-diiodophenyl)carbamate

tert-butyl N-(4-amino-3,5-diiodophenyl)carbamate (PubChem CID 15273422) has the molecular formula C11H14I2N2O2 and a molecular weight of 460.05 g/mol. Its IUPAC name is tert-butyl N-(4-amino-3,5-diiodophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-3,5-diiodophenyl)carbamate
PubChem CID15273422
Molecular FormulaC11H14I2N2O2
Molecular Weight460.05 g/mol
Exact Mass459.91
IUPAC Nametert-butyl N-(4-amino-3,5-diiodophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(I)c(N)c(I)c1
InChIInChI=1S/C11H14I2N2O2/c1-11(2,3)17-10(16)15-6-4-7(12)9(14)8(13)5-6/h4-5H,14H2,1-3H3,(H,15,16)
InChIKeyDEELTJVFMZZPKO-UHFFFAOYSA-N
XLogP3.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.05
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
2-amino-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 80688637
methyl 2-iodo-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 121396611
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-(3-chloro-4-iodophenyl)carbamate;3-chloro-4-iodoaniline
CID 162105379
tert-butyl N-(4-amino-3-cyano-5-methylphenyl)carbamate
CID 82013863
tert-butyl N-(3,5-dinitrosophenyl)carbamate
CID 129228787
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-[3-amino-5-(4-aminophenyl)phenyl]carbamate
CID 68784282
tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate
CID 22033548
tert-butyl N-(3-iodo-5-nitrophenyl)carbamate
CID 66545168
tert-butyl N-(3-amino-5-nitrophenyl)carbamate
CID 118491345

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-3,5-diiodophenyl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-3,5-diiodophenyl)carbamate (CID 15273422) is tert-butyl N-(4-amino-3,5-diiodophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-3,5-diiodophenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-3,5-diiodophenyl)carbamate is CC(C)(C)OC(=O)Nc1cc(I)c(N)c(I)c1.
What is the InChIKey of tert-butyl N-(4-amino-3,5-diiodophenyl)carbamate?
The InChIKey is DEELTJVFMZZPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14I2N2O2/c1-11(2,3)17-10(16)15-6-4-7(12)9(14)8(13)5-6/h4-5H,14H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(4-amino-3,5-diiodophenyl)carbamate?
tert-butyl N-(4-amino-3,5-diiodophenyl)carbamate has a molecular weight of 460.05 g/mol, XLogP of 3.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-3,5-diiodophenyl)carbamate is sourced from PubChem (CID 15273422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).