benzyl N-(4-iodophenyl)carbamate

C14H12INO2 — CID 1245679

IUPACbenzyl N-(4-iodophenyl)carbamate
SMILESO=C(Nc1ccc(I)cc1)OCc1ccccc1
InChIInChI=1S/C14H12INO2/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKeyIXSZDTNGTXGHJS-UHFFFAOYSA-N
MW353.16 g/mol
LogP4.04
Rot. Bonds3

About benzyl N-(4-iodophenyl)carbamate

benzyl N-(4-iodophenyl)carbamate (PubChem CID 1245679) has the molecular formula C14H12INO2 and a molecular weight of 353.16 g/mol. Its IUPAC name is benzyl N-(4-iodophenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-iodophenyl)carbamate
PubChem CID1245679
Molecular FormulaC14H12INO2
Molecular Weight353.16 g/mol
Exact Mass352.99
IUPAC Namebenzyl N-(4-iodophenyl)carbamate
SMILESO=C(Nc1ccc(I)cc1)OCc1ccccc1
InChIInChI=1S/C14H12INO2/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKeyIXSZDTNGTXGHJS-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-iodophenyl)carbamate?
The IUPAC name of benzyl N-(4-iodophenyl)carbamate (CID 1245679) is benzyl N-(4-iodophenyl)carbamate.
What is the SMILES notation for benzyl N-(4-iodophenyl)carbamate?
The canonical SMILES for benzyl N-(4-iodophenyl)carbamate is O=C(Nc1ccc(I)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-iodophenyl)carbamate?
The InChIKey is IXSZDTNGTXGHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INO2/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17).
What are the key properties of benzyl N-(4-iodophenyl)carbamate?
benzyl N-(4-iodophenyl)carbamate has a molecular weight of 353.16 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-iodophenyl)carbamate is sourced from PubChem (CID 1245679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).