tert-butyl N-(4-iodo-2-methylphenyl)carbamate

C12H16INO2 — CID 23074904

IUPACtert-butyl N-(4-iodo-2-methylphenyl)carbamate
SMILESCc1cc(I)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H16INO2/c1-8-7-9(13)5-6-10(8)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyMWSFDHVVTSPHOF-UHFFFAOYSA-N
MW333.17 g/mol
LogP3.95
Rot. Bonds1

About tert-butyl N-(4-iodo-2-methylphenyl)carbamate

tert-butyl N-(4-iodo-2-methylphenyl)carbamate (PubChem CID 23074904) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is tert-butyl N-(4-iodo-2-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-iodo-2-methylphenyl)carbamate
PubChem CID23074904
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC Nametert-butyl N-(4-iodo-2-methylphenyl)carbamate
SMILESCc1cc(I)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H16INO2/c1-8-7-9(13)5-6-10(8)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyMWSFDHVVTSPHOF-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-iodo-2-(methylcarbamoyl)phenyl]carbamate
CID 176806470
tert-butyl N-[4-iodo-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamate
CID 134814577
N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604433
tert-butyl N-(4-acetamido-3-methylphenyl)carbamate
CID 65142696
tert-butyl N-(2-iodo-5-methylphenyl)carbamate
CID 121003345
[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] methanesulfonate
CID 25147172
N-(2,4-dimethylphenyl)acetamide;N-(4-iodo-2-methylphenyl)acetamide
CID 90975910
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836927
tert-butyl N-(5-iodo-1H-indol-3-yl)carbamate
CID 156865208
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962
tert-butyl N-[4-(isocyanomethyl)-2-methylphenyl]carbamate
CID 22981316

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-iodo-2-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-iodo-2-methylphenyl)carbamate (CID 23074904) is tert-butyl N-(4-iodo-2-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-iodo-2-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-iodo-2-methylphenyl)carbamate is Cc1cc(I)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-iodo-2-methylphenyl)carbamate?
The InChIKey is MWSFDHVVTSPHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-8-7-9(13)5-6-10(8)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(4-iodo-2-methylphenyl)carbamate?
tert-butyl N-(4-iodo-2-methylphenyl)carbamate has a molecular weight of 333.17 g/mol, XLogP of 3.95, 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-iodo-2-methylphenyl)carbamate is sourced from PubChem (CID 23074904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).