[3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate

C11H11Cl2NO2 — CID 117060207

IUPAC[3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(C)c(C=C(Cl)Cl)c1
InChIInChI=1S/C11H11Cl2NO2/c1-7-3-4-9(16-11(15)14-2)5-8(7)6-10(12)13/h3-6H,1-2H3,(H,14,15)
InChIKeyGWHRPLJKIBGRIH-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.49
Rot. Bonds2

About [3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate

[3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate (PubChem CID 117060207) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is [3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate
PubChem CID117060207
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name[3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(C)c(C=C(Cl)Cl)c1
InChIInChI=1S/C11H11Cl2NO2/c1-7-3-4-9(16-11(15)14-2)5-8(7)6-10(12)13/h3-6H,1-2H3,(H,14,15)
InChIKeyGWHRPLJKIBGRIH-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate?
The IUPAC name of [3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate (CID 117060207) is [3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate.
What is the SMILES notation for [3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate?
The canonical SMILES for [3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate is CNC(=O)Oc1ccc(C)c(C=C(Cl)Cl)c1.
What is the InChIKey of [3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate?
The InChIKey is GWHRPLJKIBGRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-7-3-4-9(16-11(15)14-2)5-8(7)6-10(12)13/h3-6H,1-2H3,(H,14,15).
What are the key properties of [3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate?
[3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate has a molecular weight of 260.12 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate is sourced from PubChem (CID 117060207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).