2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide

C16H22ClNO2 — CID 5070146

IUPAC2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H22ClNO2/c1-16(2,20-14-10-8-12(17)9-11-14)15(19)18-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,19)
InChIKeyZYSXLIVVDSRNFY-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.95
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide

2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide (PubChem CID 5070146) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide
PubChem CID5070146
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H22ClNO2/c1-16(2,20-14-10-8-12(17)9-11-14)15(19)18-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,19)
InChIKeyZYSXLIVVDSRNFY-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide (CID 5070146) is 2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide?
The InChIKey is ZYSXLIVVDSRNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-16(2,20-14-10-8-12(17)9-11-14)15(19)18-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide?
2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide has a molecular weight of 295.81 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide is sourced from PubChem (CID 5070146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).