benzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate

C17H16INO2 — CID 10644257

IUPACbenzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OCc1ccccc1)c1ccccc1I
InChIInChI=1S/C17H16INO2/c1-2-12-19(16-11-7-6-10-15(16)18)17(20)21-13-14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKeyYBJCKRHRHWARPK-UHFFFAOYSA-N
MW393.22 g/mol
LogP4.62
Rot. Bonds5

About benzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate

benzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate (PubChem CID 10644257) has the molecular formula C17H16INO2 and a molecular weight of 393.22 g/mol. Its IUPAC name is benzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namebenzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate
PubChem CID10644257
Molecular FormulaC17H16INO2
Molecular Weight393.22 g/mol
Exact Mass393.02
IUPAC Namebenzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OCc1ccccc1)c1ccccc1I
InChIInChI=1S/C17H16INO2/c1-2-12-19(16-11-7-6-10-15(16)18)17(20)21-13-14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKeyYBJCKRHRHWARPK-UHFFFAOYSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate?
The IUPAC name of benzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate (CID 10644257) is benzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for benzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate?
The canonical SMILES for benzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate is C=CCN(C(=O)OCc1ccccc1)c1ccccc1I.
What is the InChIKey of benzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate?
The InChIKey is YBJCKRHRHWARPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO2/c1-2-12-19(16-11-7-6-10-15(16)18)17(20)21-13-14-8-4-3-5-9-14/h2-11H,1,12-13H2.
What are the key properties of benzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate?
benzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate has a molecular weight of 393.22 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-iodophenyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 10644257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).