3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide

C15H19FN2O2 — CID 63769254

IUPAC3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2C3CCC2CC(O)C3)c(F)c1
InChIInChI=1S/C15H19FN2O2/c16-14-5-9(15(17)20)1-2-10(14)8-18-11-3-4-12(18)7-13(19)6-11/h1-2,5,11-13,19H,3-4,6-8H2,(H2,17,20)
InChIKeyHUEKSRPOTZTZDE-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.41
Rot. Bonds3

About 3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide

3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide (PubChem CID 63769254) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide
PubChem CID63769254
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2C3CCC2CC(O)C3)c(F)c1
InChIInChI=1S/C15H19FN2O2/c16-14-5-9(15(17)20)1-2-10(14)8-18-11-3-4-12(18)7-13(19)6-11/h1-2,5,11-13,19H,3-4,6-8H2,(H2,17,20)
InChIKeyHUEKSRPOTZTZDE-UHFFFAOYSA-N
XLogP1.41
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide
CID 61233906
3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 79031716
3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide
CID 114681500
3-fluoro-4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzamide
CID 66261343
3-chloro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzenecarboximidamide
CID 102667935
4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide
CID 102985021
1-[(4-carbamoyl-2-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43441046
3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide
CID 116622136
3-fluoro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
CID 66196185
4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide
CID 113475198
4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide
CID 55235657
3-fluoro-4-[(3-methylpiperazin-1-yl)methyl]benzamide
CID 65449051

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide (CID 63769254) is 3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide is NC(=O)c1ccc(CN2C3CCC2CC(O)C3)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide?
The InChIKey is HUEKSRPOTZTZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-14-5-9(15(17)20)1-2-10(14)8-18-11-3-4-12(18)7-13(19)6-11/h1-2,5,11-13,19H,3-4,6-8H2,(H2,17,20).
What are the key properties of 3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide?
3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide has a molecular weight of 278.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide is sourced from PubChem (CID 63769254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).