3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide

C20H21F3N2O2 — CID 16676885

IUPAC3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H21F3N2O2/c21-16-3-1-15(2-4-16)20(27)5-8-25(9-6-20)10-7-24-19(26)14-11-17(22)13-18(23)12-14/h1-4,11-13,27H,5-10H2,(H,24,26)
InChIKeyIANJZFKXQBIYHJ-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.82
Rot. Bonds5

About 3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide

3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide (PubChem CID 16676885) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
PubChem CID16676885
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H21F3N2O2/c21-16-3-1-15(2-4-16)20(27)5-8-25(9-6-20)10-7-24-19(26)14-11-17(22)13-18(23)12-14/h1-4,11-13,27H,5-10H2,(H,24,26)
InChIKeyIANJZFKXQBIYHJ-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

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'-[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
4-(Phenyl-piperazin-1-yl-methyl)-benzoic acid
CID 10827784

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide (CID 16676885) is 3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(O)(c2ccc(F)cc2)CC1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
The InChIKey is IANJZFKXQBIYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-16-3-1-15(2-4-16)20(27)5-8-25(9-6-20)10-7-24-19(26)14-11-17(22)13-18(23)12-14/h1-4,11-13,27H,5-10H2,(H,24,26).
What are the key properties of 3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide?
3,5-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 3,5-difluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 16676885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).