2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide

C25H24ClF3N2O4 — CID 11526309

IUPAC2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)o2)CC1
InChIInChI=1S/C25H24ClF3N2O4/c26-18-2-1-3-21(14-18)33-16-24(32)30-19-10-12-31(13-11-19)15-22-8-9-23(34-22)17-4-6-20(7-5-17)35-25(27,28)29/h1-9,14,19H,10-13,15-16H2,(H,30,32)
InChIKeyMEMBYPTWDIQOBS-UHFFFAOYSA-N
MW508.92 g/mol
LogP5.66
Rot. Bonds8

About 2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide

2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 11526309) has the molecular formula C25H24ClF3N2O4 and a molecular weight of 508.92 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide
PubChem CID11526309
Molecular FormulaC25H24ClF3N2O4
Molecular Weight508.92 g/mol
Exact Mass508.14
IUPAC Name2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)o2)CC1
InChIInChI=1S/C25H24ClF3N2O4/c26-18-2-1-3-21(14-18)33-16-24(32)30-19-10-12-31(13-11-19)15-22-8-9-23(34-22)17-4-6-20(7-5-17)35-25(27,28)29/h1-9,14,19H,10-13,15-16H2,(H,30,32)
InChIKeyMEMBYPTWDIQOBS-UHFFFAOYSA-N
XLogP5.66
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.92
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide (CID 11526309) is 2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide is O=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)o2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is MEMBYPTWDIQOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N2O4/c26-18-2-1-3-21(14-18)33-16-24(32)30-19-10-12-31(13-11-19)15-22-8-9-23(34-22)17-4-6-20(7-5-17)35-25(27,28)29/h1-9,14,19H,10-13,15-16H2,(H,30,32).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide?
2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 508.92 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 11526309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).