2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

C20H28BrFN2O2 — CID 2106768

IUPAC2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1F)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H28BrFN2O2/c21-16-7-8-18(17(22)13-16)26-14-19(25)23-15-20(9-3-1-4-10-20)24-11-5-2-6-12-24/h7-8,13H,1-6,9-12,14-15H2,(H,23,25)
InChIKeyIOJCFYSNEILYSB-UHFFFAOYSA-N
MW427.36 g/mol
LogP4.27
Rot. Bonds6

About 2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide

2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 2106768) has the molecular formula C20H28BrFN2O2 and a molecular weight of 427.36 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID2106768
Molecular FormulaC20H28BrFN2O2
Molecular Weight427.36 g/mol
Exact Mass426.13
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1F)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H28BrFN2O2/c21-16-7-8-18(17(22)13-16)26-14-19(25)23-15-20(9-3-1-4-10-20)24-11-5-2-6-12-24/h7-8,13H,1-6,9-12,14-15H2,(H,23,25)
InChIKeyIOJCFYSNEILYSB-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (CID 2106768) is 2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is O=C(COc1ccc(Br)cc1F)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is IOJCFYSNEILYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28BrFN2O2/c21-16-7-8-18(17(22)13-16)26-14-19(25)23-15-20(9-3-1-4-10-20)24-11-5-2-6-12-24/h7-8,13H,1-6,9-12,14-15H2,(H,23,25).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 427.36 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 2106768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).