N-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

C13H14ClF3N2O3 — CID 128989572

IUPACN-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C13H14ClF3N2O3/c1-7(20)18-8-2-3-10(13(15,16)17)19(6-8)12(21)9-4-5-22-11(9)14/h4-5,8,10H,2-3,6H2,1H3,(H,18,20)
InChIKeyABGFNXOQMQQPDI-UHFFFAOYSA-N
MW338.71 g/mol
LogP2.60
Rot. Bonds2

About N-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 128989572) has the molecular formula C13H14ClF3N2O3 and a molecular weight of 338.71 g/mol. Its IUPAC name is N-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID128989572
Molecular FormulaC13H14ClF3N2O3
Molecular Weight338.71 g/mol
Exact Mass338.06
IUPAC NameN-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C13H14ClF3N2O3/c1-7(20)18-8-2-3-10(13(15,16)17)19(6-8)12(21)9-4-5-22-11(9)14/h4-5,8,10H,2-3,6H2,1H3,(H,18,20)
InChIKeyABGFNXOQMQQPDI-UHFFFAOYSA-N
XLogP2.60
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.71
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 128989572) is N-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)NC1CCC(C(F)(F)F)N(C(=O)c2ccoc2Cl)C1.
What is the InChIKey of N-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is ABGFNXOQMQQPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O3/c1-7(20)18-8-2-3-10(13(15,16)17)19(6-8)12(21)9-4-5-22-11(9)14/h4-5,8,10H,2-3,6H2,1H3,(H,18,20).
What are the key properties of N-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 338.71 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 128989572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).