ethyl N-(3,5-dichlorophenyl)carbamate

C9H9Cl2NO2 — CID 2741047

IUPACethyl N-(3,5-dichlorophenyl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO2/c1-2-14-9(13)12-8-4-6(10)3-7(11)5-8/h3-5H,2H2,1H3,(H,12,13)
InChIKeyAOWDJXCNBVVOST-UHFFFAOYSA-N
MW234.08 g/mol
LogP3.56
Rot. Bonds2

About ethyl N-(3,5-dichlorophenyl)carbamate

ethyl N-(3,5-dichlorophenyl)carbamate (PubChem CID 2741047) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is ethyl N-(3,5-dichlorophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3,5-dichlorophenyl)carbamate
PubChem CID2741047
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Nameethyl N-(3,5-dichlorophenyl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO2/c1-2-14-9(13)12-8-4-6(10)3-7(11)5-8/h3-5H,2H2,1H3,(H,12,13)
InChIKeyAOWDJXCNBVVOST-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3,5-dichlorophenyl)carbamate?
The IUPAC name of ethyl N-(3,5-dichlorophenyl)carbamate (CID 2741047) is ethyl N-(3,5-dichlorophenyl)carbamate.
What is the SMILES notation for ethyl N-(3,5-dichlorophenyl)carbamate?
The canonical SMILES for ethyl N-(3,5-dichlorophenyl)carbamate is CCOC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of ethyl N-(3,5-dichlorophenyl)carbamate?
The InChIKey is AOWDJXCNBVVOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-2-14-9(13)12-8-4-6(10)3-7(11)5-8/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of ethyl N-(3,5-dichlorophenyl)carbamate?
ethyl N-(3,5-dichlorophenyl)carbamate has a molecular weight of 234.08 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3,5-dichlorophenyl)carbamate is sourced from PubChem (CID 2741047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).