2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide

C16H22ClFN2O2 — CID 17250198

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C16H22ClFN2O2/c1-2-7-20-8-5-12(6-9-20)19-16(21)11-22-13-3-4-15(18)14(17)10-13/h3-4,10,12H,2,5-9,11H2,1H3,(H,19,21)
InChIKeyDMTJEJKVCXUCCU-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.85
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide

2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 17250198) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID17250198
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C16H22ClFN2O2/c1-2-7-20-8-5-12(6-9-20)19-16(21)11-22-13-3-4-15(18)14(17)10-13/h3-4,10,12H,2,5-9,11H2,1H3,(H,19,21)
InChIKeyDMTJEJKVCXUCCU-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide (CID 17250198) is 2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(NC(=O)COc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is DMTJEJKVCXUCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-2-7-20-8-5-12(6-9-20)19-16(21)11-22-13-3-4-15(18)14(17)10-13/h3-4,10,12H,2,5-9,11H2,1H3,(H,19,21).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide?
2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 328.81 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 17250198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).