2-chloroethyl N-(3-chlorophenyl)carbamate

C9H9Cl2NO2 — CID 11483

IUPAC2-chloroethyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OCCCl
InChIInChI=1S/C9H9Cl2NO2/c10-4-5-14-9(13)12-8-3-1-2-7(11)6-8/h1-3,6H,4-5H2,(H,12,13)
InChIKeyGYJQWEIGUGMFMU-UHFFFAOYSA-N
MW234.08 g/mol
LogP3.13
Rot. Bonds3

About 2-chloroethyl N-(3-chlorophenyl)carbamate

2-chloroethyl N-(3-chlorophenyl)carbamate (PubChem CID 11483) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is 2-chloroethyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-chloroethyl N-(3-chlorophenyl)carbamate
PubChem CID11483
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name2-chloroethyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OCCCl
InChIInChI=1S/C9H9Cl2NO2/c10-4-5-14-9(13)12-8-3-1-2-7(11)6-8/h1-3,6H,4-5H2,(H,12,13)
InChIKeyGYJQWEIGUGMFMU-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 53.13
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-(3-chlorophenyl)carbamate?
The IUPAC name of 2-chloroethyl N-(3-chlorophenyl)carbamate (CID 11483) is 2-chloroethyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for 2-chloroethyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for 2-chloroethyl N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)OCCCl.
What is the InChIKey of 2-chloroethyl N-(3-chlorophenyl)carbamate?
The InChIKey is GYJQWEIGUGMFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c10-4-5-14-9(13)12-8-3-1-2-7(11)6-8/h1-3,6H,4-5H2,(H,12,13).
What are the key properties of 2-chloroethyl N-(3-chlorophenyl)carbamate?
2-chloroethyl N-(3-chlorophenyl)carbamate has a molecular weight of 234.08 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 11483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).