3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide

C20H17FN2O2 — CID 50965140

IUPAC3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCC(O)c1cccnc1)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C20H17FN2O2/c21-18-8-2-5-15(11-18)14-4-1-6-16(10-14)20(25)23-13-19(24)17-7-3-9-22-12-17/h1-12,19,24H,13H2,(H,23,25)
InChIKeyDJNIVAAGLGRAHL-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.35
Rot. Bonds5

About 3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide

3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide (PubChem CID 50965140) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide
PubChem CID50965140
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCC(O)c1cccnc1)c1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C20H17FN2O2/c21-18-8-2-5-15(11-18)14-4-1-6-16(10-14)20(25)23-13-19(24)17-7-3-9-22-12-17/h1-12,19,24H,13H2,(H,23,25)
InChIKeyDJNIVAAGLGRAHL-UHFFFAOYSA-N
XLogP3.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-fluorobenzamide
CID 9157535
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
N-benzyl-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 42845762
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
3-pyridin-3-yl-N-[2-[2-[2-[(3-pyridin-3-ylbenzoyl)amino]ethoxy]ethoxy]ethyl]benzamide
CID 164624876
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-nitrobenzamide
CID 110888918
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]pyridine-3-carboxamide
CID 22260966
N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide
CID 21361607
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide (CID 50965140) is 3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide is O=C(NCC(O)c1cccnc1)c1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide?
The InChIKey is DJNIVAAGLGRAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c21-18-8-2-5-15(11-18)14-4-1-6-16(10-14)20(25)23-13-19(24)17-7-3-9-22-12-17/h1-12,19,24H,13H2,(H,23,25).
What are the key properties of 3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide?
3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide has a molecular weight of 336.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 50965140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).