2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide

C20H21ClF2N2O2 — CID 16676886

IUPAC2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C20H21ClF2N2O2/c21-16-2-1-3-17(23)18(16)19(26)24-10-13-25-11-8-20(27,9-12-25)14-4-6-15(22)7-5-14/h1-7,27H,8-13H2,(H,24,26)
InChIKeyKRFRMNUXVGQLJE-UHFFFAOYSA-N
MW394.85 g/mol
LogP3.33
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide

2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide (PubChem CID 16676886) has the molecular formula C20H21ClF2N2O2 and a molecular weight of 394.85 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
PubChem CID16676886
Molecular FormulaC20H21ClF2N2O2
Molecular Weight394.85 g/mol
Exact Mass394.13
IUPAC Name2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C20H21ClF2N2O2/c21-16-2-1-3-17(23)18(16)19(26)24-10-13-25-11-8-20(27,9-12-25)14-4-6-15(22)7-5-14/h1-7,27H,8-13H2,(H,24,26)
InChIKeyKRFRMNUXVGQLJE-UHFFFAOYSA-N
XLogP3.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.85
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide (CID 16676886) is 2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The InChIKey is KRFRMNUXVGQLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N2O2/c21-16-2-1-3-17(23)18(16)19(26)24-10-13-25-11-8-20(27,9-12-25)14-4-6-15(22)7-5-14/h1-7,27H,8-13H2,(H,24,26).
What are the key properties of 2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide has a molecular weight of 394.85 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 16676886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).