methyl N-(2,6-dichlorophenyl)carbamate

C8H7Cl2NO2 — CID 5067519

IUPACmethyl N-(2,6-dichlorophenyl)carbamate
SMILESCOC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-13-8(12)11-7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H,11,12)
InChIKeyATABSDIEBKPYGM-UHFFFAOYSA-N
MW220.06 g/mol
LogP3.17
Rot. Bonds1

About methyl N-(2,6-dichlorophenyl)carbamate

methyl N-(2,6-dichlorophenyl)carbamate (PubChem CID 5067519) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.06 g/mol. Its IUPAC name is methyl N-(2,6-dichlorophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,6-dichlorophenyl)carbamate
PubChem CID5067519
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.06 g/mol
Exact Mass218.99
IUPAC Namemethyl N-(2,6-dichlorophenyl)carbamate
SMILESCOC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-13-8(12)11-7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H,11,12)
InChIKeyATABSDIEBKPYGM-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2,6-dichlorophenyl)carbamate?
The IUPAC name of methyl N-(2,6-dichlorophenyl)carbamate (CID 5067519) is methyl N-(2,6-dichlorophenyl)carbamate.
What is the SMILES notation for methyl N-(2,6-dichlorophenyl)carbamate?
The canonical SMILES for methyl N-(2,6-dichlorophenyl)carbamate is COC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of methyl N-(2,6-dichlorophenyl)carbamate?
The InChIKey is ATABSDIEBKPYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-7-5(9)3-2-4-6(7)10/h2-4H,1H3,(H,11,12).
What are the key properties of methyl N-(2,6-dichlorophenyl)carbamate?
methyl N-(2,6-dichlorophenyl)carbamate has a molecular weight of 220.06 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,6-dichlorophenyl)carbamate is sourced from PubChem (CID 5067519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).