3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide

C17H19FN2O2 — CID 121494281

IUPAC3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1cccc(-c2ccc(F)cn2)c1
InChIInChI=1S/C17H19FN2O2/c18-15-7-8-16(20-12-15)13-5-4-6-14(11-13)17(22)19-9-2-1-3-10-21/h4-8,11-12,21H,1-3,9-10H2,(H,19,22)
InChIKeyPGKHGIRRCYDVGN-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.78
Rot. Bonds7

About 3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide

3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide (PubChem CID 121494281) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide
PubChem CID121494281
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide
SMILESO=C(NCCCCCO)c1cccc(-c2ccc(F)cn2)c1
InChIInChI=1S/C17H19FN2O2/c18-15-7-8-16(20-12-15)13-5-4-6-14(11-13)17(22)19-9-2-1-3-10-21/h4-8,11-12,21H,1-3,9-10H2,(H,19,22)
InChIKeyPGKHGIRRCYDVGN-UHFFFAOYSA-N
XLogP2.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 10361759
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
7-fluoro-N-(5-hydroxypentyl)quinoline-3-carboxamide
CID 110489754
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis(6-hydroxyhexyl)benzene-1,3-dicarboxamide
CID 100967196
methyl 3-(6-hydroxyhexylcarbamoyl)benzoate
CID 108799701
N-(4-hydroxybutyl)-2-pyridin-2-ylpyridine-4-carboxamide
CID 10149325
3-(5-chloro-2-pyridinyl)-N-(3-cyclopentyloxypropyl)benzamide
CID 118770666
4-[3-(4-hydroxybutylcarbamoyl)phenyl]thiophene-2-carboxylic acid
CID 169418113
3-fluoro-N-octadecylbenzamide
CID 91711883
N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486103
6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56742411

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide (CID 121494281) is 3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide is O=C(NCCCCCO)c1cccc(-c2ccc(F)cn2)c1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide?
The InChIKey is PGKHGIRRCYDVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-15-7-8-16(20-12-15)13-5-4-6-14(11-13)17(22)19-9-2-1-3-10-21/h4-8,11-12,21H,1-3,9-10H2,(H,19,22).
What are the key properties of 3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide?
3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide has a molecular weight of 302.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-N-(5-hydroxypentyl)benzamide is sourced from PubChem (CID 121494281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).