cyclohexyl N-(3-chlorophenyl)carbamate

C13H16ClNO2 — CID 518079

IUPACcyclohexyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OC1CCCCC1
InChIInChI=1S/C13H16ClNO2/c14-10-5-4-6-11(9-10)15-13(16)17-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,15,16)
InChIKeyILBAXXVDXITICM-UHFFFAOYSA-N
MW253.73 g/mol
LogP4.22
Rot. Bonds2

About cyclohexyl N-(3-chlorophenyl)carbamate

cyclohexyl N-(3-chlorophenyl)carbamate (PubChem CID 518079) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is cyclohexyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Namecyclohexyl N-(3-chlorophenyl)carbamate
PubChem CID518079
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Namecyclohexyl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OC1CCCCC1
InChIInChI=1S/C13H16ClNO2/c14-10-5-4-6-11(9-10)15-13(16)17-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,15,16)
InChIKeyILBAXXVDXITICM-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-(3-chlorophenyl)carbamate?
The IUPAC name of cyclohexyl N-(3-chlorophenyl)carbamate (CID 518079) is cyclohexyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for cyclohexyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for cyclohexyl N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-(3-chlorophenyl)carbamate?
The InChIKey is ILBAXXVDXITICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-10-5-4-6-11(9-10)15-13(16)17-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,15,16).
What are the key properties of cyclohexyl N-(3-chlorophenyl)carbamate?
cyclohexyl N-(3-chlorophenyl)carbamate has a molecular weight of 253.73 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 518079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).