1,2-dichlorobenzene;ethyl N-ethylcarbamate

C11H15Cl2NO2 — CID 174679223

IUPAC1,2-dichlorobenzene;ethyl N-ethylcarbamate
SMILESCCNC(=O)OCC.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C5H11NO2/c7-5-3-1-2-4-6(5)8;1-3-6-5(7)8-4-2/h1-4H;3-4H2,1-2H3,(H,6,7)
InChIKeyZOSYIOUJMLCTEL-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.75
Rot. Bonds2

About 1,2-dichlorobenzene;ethyl N-ethylcarbamate

1,2-dichlorobenzene;ethyl N-ethylcarbamate (PubChem CID 174679223) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 1,2-dichlorobenzene;ethyl N-ethylcarbamate.

Molecular Properties

Compound Name1,2-dichlorobenzene;ethyl N-ethylcarbamate
PubChem CID174679223
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name1,2-dichlorobenzene;ethyl N-ethylcarbamate
SMILESCCNC(=O)OCC.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C5H11NO2/c7-5-3-1-2-4-6(5)8;1-3-6-5(7)8-4-2/h1-4H;3-4H2,1-2H3,(H,6,7)
InChIKeyZOSYIOUJMLCTEL-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;ethyl N-ethylcarbamate?
The IUPAC name of 1,2-dichlorobenzene;ethyl N-ethylcarbamate (CID 174679223) is 1,2-dichlorobenzene;ethyl N-ethylcarbamate.
What is the SMILES notation for 1,2-dichlorobenzene;ethyl N-ethylcarbamate?
The canonical SMILES for 1,2-dichlorobenzene;ethyl N-ethylcarbamate is CCNC(=O)OCC.Clc1ccccc1Cl.
What is the InChIKey of 1,2-dichlorobenzene;ethyl N-ethylcarbamate?
The InChIKey is ZOSYIOUJMLCTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C5H11NO2/c7-5-3-1-2-4-6(5)8;1-3-6-5(7)8-4-2/h1-4H;3-4H2,1-2H3,(H,6,7).
What are the key properties of 1,2-dichlorobenzene;ethyl N-ethylcarbamate?
1,2-dichlorobenzene;ethyl N-ethylcarbamate has a molecular weight of 264.15 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;ethyl N-ethylcarbamate is sourced from PubChem (CID 174679223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).