4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C17H17FN2O2 — CID 126425082

IUPAC4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(-c2ccncc2F)cc1
InChIInChI=1S/C17H17FN2O2/c18-16-11-19-8-7-15(16)12-3-5-13(6-4-12)17(21)20-10-14-2-1-9-22-14/h3-8,11,14H,1-2,9-10H2,(H,20,21)/t14-/m0/s1
InChIKeyHQHZXTKATGMESE-AWEZNQCLSA-N
MW300.33 g/mol
LogP2.80
Rot. Bonds4

About 4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 126425082) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID126425082
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(-c2ccncc2F)cc1
InChIInChI=1S/C17H17FN2O2/c18-16-11-19-8-7-15(16)12-3-5-13(6-4-12)17(21)20-10-14-2-1-9-22-14/h3-8,11,14H,1-2,9-10H2,(H,20,21)/t14-/m0/s1
InChIKeyHQHZXTKATGMESE-AWEZNQCLSA-N
XLogP2.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125440523
3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105068087
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
6-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxylic acid
CID 126437683
1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109045697
N-(oxolan-2-ylmethyl)-4-[2-(pyridin-3-ylamino)ethylcarbamoylamino]benzamide
CID 72875380

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 126425082) is 4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)c1ccc(-c2ccncc2F)cc1.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is HQHZXTKATGMESE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-16-11-19-8-7-15(16)12-3-5-13(6-4-12)17(21)20-10-14-2-1-9-22-14/h3-8,11,14H,1-2,9-10H2,(H,20,21)/t14-/m0/s1.
What are the key properties of 4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 300.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 126425082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).