1-(4-chlorophenyl)ethyl carbamate

C9H10ClNO2 — CID 20975716

IUPAC1-(4-chlorophenyl)ethyl carbamate
SMILESCC(OC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-6(13-9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H2,11,12)
InChIKeyGKQAGMOHTBQWKN-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.50
Rot. Bonds2

About 1-(4-chlorophenyl)ethyl carbamate

1-(4-chlorophenyl)ethyl carbamate (PubChem CID 20975716) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)ethyl carbamate.

Molecular Properties

Compound Name1-(4-chlorophenyl)ethyl carbamate
PubChem CID20975716
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name1-(4-chlorophenyl)ethyl carbamate
SMILESCC(OC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-6(13-9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H2,11,12)
InChIKeyGKQAGMOHTBQWKN-UHFFFAOYSA-N
XLogP2.50
TPSA52.32 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)ethyl carbamate?
The IUPAC name of 1-(4-chlorophenyl)ethyl carbamate (CID 20975716) is 1-(4-chlorophenyl)ethyl carbamate.
What is the SMILES notation for 1-(4-chlorophenyl)ethyl carbamate?
The canonical SMILES for 1-(4-chlorophenyl)ethyl carbamate is CC(OC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)ethyl carbamate?
The InChIKey is GKQAGMOHTBQWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6(13-9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H2,11,12).
What are the key properties of 1-(4-chlorophenyl)ethyl carbamate?
1-(4-chlorophenyl)ethyl carbamate has a molecular weight of 199.64 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)ethyl carbamate is sourced from PubChem (CID 20975716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).