3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide

C20H22F2N2O2 — CID 46965021

IUPAC3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H22F2N2O2/c21-17-5-1-3-15(13-17)19(25)23-9-12-24-10-7-20(26,8-11-24)16-4-2-6-18(22)14-16/h1-6,13-14,26H,7-12H2,(H,23,25)
InChIKeyUYDWMMQTWFFRDW-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.68
Rot. Bonds5

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

3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide (PubChem CID 46965021) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
PubChem CID46965021
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H22F2N2O2/c21-17-5-1-3-15(13-17)19(25)23-9-12-24-10-7-20(26,8-11-24)16-4-2-6-18(22)14-16/h1-6,13-14,26H,7-12H2,(H,23,25)
InChIKeyUYDWMMQTWFFRDW-UHFFFAOYSA-N
XLogP2.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide
CID 16672673
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
CID 110397771
3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790572
N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671169
3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide
CID 16676890
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644
2-amino-N-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide
CID 21428879
2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide
CID 54130706
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-fluorobenzamide
CID 112501997
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide
CID 110716408
N-(1-ethyl-4-methylpiperidin-4-yl)-3-fluorobenzamide
CID 146322467
N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-4-phenylmethoxybenzamide
CID 70045573

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide (CID 46965021) is 3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The InChIKey is UYDWMMQTWFFRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c21-17-5-1-3-15(13-17)19(25)23-9-12-24-10-7-20(26,8-11-24)16-4-2-6-18(22)14-16/h1-6,13-14,26H,7-12H2,(H,23,25).
What are the key properties of 3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide has a molecular weight of 360.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 46965021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).