ethyl N-(4-chlorophenyl)carbamate

C9H10ClNO2 — CID 17496

IUPACethyl N-(4-chlorophenyl)carbamate
SMILESCCOC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyWSKXXIMERYQVGJ-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.91
Rot. Bonds2

About ethyl N-(4-chlorophenyl)carbamate

ethyl N-(4-chlorophenyl)carbamate (PubChem CID 17496) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-chlorophenyl)carbamate
PubChem CID17496
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Nameethyl N-(4-chlorophenyl)carbamate
SMILESCCOC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyWSKXXIMERYQVGJ-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of ethyl N-(4-chlorophenyl)carbamate (CID 17496) is ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for ethyl N-(4-chlorophenyl)carbamate is CCOC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is WSKXXIMERYQVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of ethyl N-(4-chlorophenyl)carbamate?
ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 199.64 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 17496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).