2-chloroethyl N-(2,6-dichlorophenyl)carbamate

C9H8Cl3NO2 — CID 5093154

IUPAC2-chloroethyl N-(2,6-dichlorophenyl)carbamate
SMILESO=C(Nc1c(Cl)cccc1Cl)OCCCl
InChIInChI=1S/C9H8Cl3NO2/c10-4-5-15-9(14)13-8-6(11)2-1-3-7(8)12/h1-3H,4-5H2,(H,13,14)
InChIKeyHEBZIURPRFBEGP-UHFFFAOYSA-N
MW268.53 g/mol
LogP3.78
Rot. Bonds3

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

2-chloroethyl N-(2,6-dichlorophenyl)carbamate (PubChem CID 5093154) has the molecular formula C9H8Cl3NO2 and a molecular weight of 268.53 g/mol. Its IUPAC name is 2-chloroethyl N-(2,6-dichlorophenyl)carbamate.

Molecular Properties

Compound Name2-chloroethyl N-(2,6-dichlorophenyl)carbamate
PubChem CID5093154
Molecular FormulaC9H8Cl3NO2
Molecular Weight268.53 g/mol
Exact Mass266.96
IUPAC Name2-chloroethyl N-(2,6-dichlorophenyl)carbamate
SMILESO=C(Nc1c(Cl)cccc1Cl)OCCCl
InChIInChI=1S/C9H8Cl3NO2/c10-4-5-15-9(14)13-8-6(11)2-1-3-7(8)12/h1-3H,4-5H2,(H,13,14)
InChIKeyHEBZIURPRFBEGP-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl N-(2,6-dichlorophenyl)carbamate?
The IUPAC name of 2-chloroethyl N-(2,6-dichlorophenyl)carbamate (CID 5093154) is 2-chloroethyl N-(2,6-dichlorophenyl)carbamate.
What is the SMILES notation for 2-chloroethyl N-(2,6-dichlorophenyl)carbamate?
The canonical SMILES for 2-chloroethyl N-(2,6-dichlorophenyl)carbamate is O=C(Nc1c(Cl)cccc1Cl)OCCCl.
What is the InChIKey of 2-chloroethyl N-(2,6-dichlorophenyl)carbamate?
The InChIKey is HEBZIURPRFBEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NO2/c10-4-5-15-9(14)13-8-6(11)2-1-3-7(8)12/h1-3H,4-5H2,(H,13,14).
What are the key properties of 2-chloroethyl N-(2,6-dichlorophenyl)carbamate?
2-chloroethyl N-(2,6-dichlorophenyl)carbamate has a molecular weight of 268.53 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl N-(2,6-dichlorophenyl)carbamate is sourced from PubChem (CID 5093154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).