2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide

C20H21F3N2O2 — CID 16677255

IUPAC2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1c(F)cccc1F
InChIInChI=1S/C20H21F3N2O2/c21-15-4-1-3-14(13-15)20(27)7-10-25(11-8-20)12-9-24-19(26)18-16(22)5-2-6-17(18)23/h1-6,13,27H,7-12H2,(H,24,26)
InChIKeyGGINQVHYCFBOSJ-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.82
Rot. Bonds5

About 2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide

2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide (PubChem CID 16677255) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
PubChem CID16677255
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1c(F)cccc1F
InChIInChI=1S/C20H21F3N2O2/c21-15-4-1-3-14(13-15)20(27)7-10-25(11-8-20)12-9-24-19(26)18-16(22)5-2-6-17(18)23/h1-6,13,27H,7-12H2,(H,24,26)
InChIKeyGGINQVHYCFBOSJ-UHFFFAOYSA-N
XLogP2.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide (CID 16677255) is 2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The InChIKey is GGINQVHYCFBOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-15-4-1-3-14(13-15)20(27)7-10-25(11-8-20)12-9-24-19(26)18-16(22)5-2-6-17(18)23/h1-6,13,27H,7-12H2,(H,24,26).
What are the key properties of 2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide has a molecular weight of 378.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 16677255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).