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

C20H21F3N2O2 — CID 16676884

IUPAC2,6-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1c(F)cccc1F
InChIInChI=1S/C20H21F3N2O2/c21-15-6-4-14(5-7-15)20(27)8-11-25(12-9-20)13-10-24-19(26)18-16(22)2-1-3-17(18)23/h1-7,27H,8-13H2,(H,24,26)
InChIKeyOOFYCHILHDRHDB-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.82
Rot. Bonds5

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

2,6-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide (PubChem CID 16676884) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
PubChem CID16676884
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name2,6-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1c(F)cccc1F
InChIInChI=1S/C20H21F3N2O2/c21-15-6-4-14(5-7-15)20(27)8-11-25(12-9-20)13-10-24-19(26)18-16(22)2-1-3-17(18)23/h1-7,27H,8-13H2,(H,24,26)
InChIKeyOOFYCHILHDRHDB-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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Related Compounds

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
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
N-(2-{(3S)-3-[(4-Hydroxy-4-phenylcyclohexyl)amino]pyrrolidin-1-yl}-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 11237168
N-methyl-N-phenethyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 11632811
3-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]benzoic acid
CID 11854299
4-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]benzoic acid
CID 11854301
((3S,4R)-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-phenylpiperidin-1-yl)methanone
CID 46885323

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide (CID 16676884) is 2,6-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The InChIKey is OOFYCHILHDRHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-15-6-4-14(5-7-15)20(27)8-11-25(12-9-20)13-10-24-19(26)18-16(22)2-1-3-17(18)23/h1-7,27H,8-13H2,(H,24,26).
What are the key properties of 2,6-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
2,6-difluoro-N-[2-[4-(4-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-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 16676884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).