(4-iodophenyl)methyl N,N-dimethylcarbamate

C10H12INO2 — CID 12963464

IUPAC(4-iodophenyl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccc(I)cc1
InChIInChI=1S/C10H12INO2/c1-12(2)10(13)14-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyVNDQLZLQEILONL-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.49
Rot. Bonds2

About (4-iodophenyl)methyl N,N-dimethylcarbamate

(4-iodophenyl)methyl N,N-dimethylcarbamate (PubChem CID 12963464) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is (4-iodophenyl)methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-iodophenyl)methyl N,N-dimethylcarbamate
PubChem CID12963464
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name(4-iodophenyl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccc(I)cc1
InChIInChI=1S/C10H12INO2/c1-12(2)10(13)14-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyVNDQLZLQEILONL-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.49
H-Bond Donors ≤ 50
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 (4-iodophenyl)methyl N,N-dimethylcarbamate?
The IUPAC name of (4-iodophenyl)methyl N,N-dimethylcarbamate (CID 12963464) is (4-iodophenyl)methyl N,N-dimethylcarbamate.
What is the SMILES notation for (4-iodophenyl)methyl N,N-dimethylcarbamate?
The canonical SMILES for (4-iodophenyl)methyl N,N-dimethylcarbamate is CN(C)C(=O)OCc1ccc(I)cc1.
What is the InChIKey of (4-iodophenyl)methyl N,N-dimethylcarbamate?
The InChIKey is VNDQLZLQEILONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c1-12(2)10(13)14-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of (4-iodophenyl)methyl N,N-dimethylcarbamate?
(4-iodophenyl)methyl N,N-dimethylcarbamate has a molecular weight of 305.12 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)methyl N,N-dimethylcarbamate is sourced from PubChem (CID 12963464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).