2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide

C18H24ClFN2O2 — CID 91776001

IUPAC2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1Cl)NC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C18H24ClFN2O2/c19-17-11-14(20)4-3-13(17)10-18(23)21-15-5-7-22(8-6-15)12-16-2-1-9-24-16/h3-4,11,15-16H,1-2,5-10,12H2,(H,21,23)
InChIKeyNWKQKDKHKWMCPA-UHFFFAOYSA-N
MW354.85 g/mol
LogP2.78
Rot. Bonds5

About 2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide

2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 91776001) has the molecular formula C18H24ClFN2O2 and a molecular weight of 354.85 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide
PubChem CID91776001
Molecular FormulaC18H24ClFN2O2
Molecular Weight354.85 g/mol
Exact Mass354.15
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1Cl)NC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C18H24ClFN2O2/c19-17-11-14(20)4-3-13(17)10-18(23)21-15-5-7-22(8-6-15)12-16-2-1-9-24-16/h3-4,11,15-16H,1-2,5-10,12H2,(H,21,23)
InChIKeyNWKQKDKHKWMCPA-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide (CID 91776001) is 2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide is O=C(Cc1ccc(F)cc1Cl)NC1CCN(CC2CCCO2)CC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is NWKQKDKHKWMCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2O2/c19-17-11-14(20)4-3-13(17)10-18(23)21-15-5-7-22(8-6-15)12-16-2-1-9-24-16/h3-4,11,15-16H,1-2,5-10,12H2,(H,21,23).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide?
2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 354.85 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 91776001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).