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

C20H22F2N2O2 — CID 16677166

IUPAC2-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1ccccc1F
InChIInChI=1S/C20H22F2N2O2/c21-16-7-5-15(6-8-16)20(26)9-12-24(13-10-20)14-11-23-19(25)17-3-1-2-4-18(17)22/h1-8,26H,9-14H2,(H,23,25)
InChIKeyOKJUKXACYRQZLV-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.68
Rot. Bonds5

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

2-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide (PubChem CID 16677166) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
PubChem CID16677166
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name2-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1ccccc1F
InChIInChI=1S/C20H22F2N2O2/c21-16-7-5-15(6-8-16)20(26)9-12-24(13-10-20)14-11-23-19(25)17-3-1-2-4-18(17)22/h1-8,26H,9-14H2,(H,23,25)
InChIKeyOKJUKXACYRQZLV-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

Cyclohexyl benzamide derivative, 9
CID 15986762
N-[4-(2-carbamoylethyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 15987397
Piperidin-1-yl-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)phenyl]methanone
CID 10269568
N-benzyl-N-methyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 10271742
3-(2-((4R,5R)-5-amino-2-oxo-4-(2,4,5-trifluorophenyl)piperidin-1-yl)ethyl)benzoic acid
CID 16202788
4-fluoro-N-{(2S)-1-[(5R)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide
CID 145704747
(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 10601065
2'-(2-Fluoro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431342
N-{2-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-ethyl}-4-fluoro-benzamide
CID 13900361
N'-[bis(4-fluorophenyl)(hydroxy)acetyl]-N-ethylbenzohydrazide
CID 1918140
2-(3,3-Difluoro-cyclopentyl)-N-[1-(3-fluoro-benzyl)-piperidin-4-yl]-2-hydroxy-2-phenyl-acetamide
CID 10551354
N-(1-Benzyl-piperidin-4-yl)-2-(3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 10812455

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide (CID 16677166) is 2-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The InChIKey is OKJUKXACYRQZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c21-16-7-5-15(6-8-16)20(26)9-12-24(13-10-20)14-11-23-19(25)17-3-1-2-4-18(17)22/h1-8,26H,9-14H2,(H,23,25).
What are the key properties of 2-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
2-fluoro-N-[2-[4-(4-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 2-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 16677166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).