3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide

C17H17FN2O2 — CID 118787820

IUPAC3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2cccc(-c3ccncc3F)c2)COC1
InChIInChI=1S/C17H17FN2O2/c1-17(10-22-11-17)9-20-16(21)13-4-2-3-12(7-13)14-5-6-19-8-15(14)18/h2-8H,9-11H2,1H3,(H,20,21)
InChIKeyDUYHQHDJNGGNFU-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.65
Rot. Bonds4

About 3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide

3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide (PubChem CID 118787820) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
PubChem CID118787820
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2cccc(-c3ccncc3F)c2)COC1
InChIInChI=1S/C17H17FN2O2/c1-17(10-22-11-17)9-20-16(21)13-4-2-3-12(7-13)14-5-6-19-8-15(14)18/h2-8H,9-11H2,1H3,(H,20,21)
InChIKeyDUYHQHDJNGGNFU-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The IUPAC name of 3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide (CID 118787820) is 3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The canonical SMILES for 3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide is CC1(CNC(=O)c2cccc(-c3ccncc3F)c2)COC1.
What is the InChIKey of 3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The InChIKey is DUYHQHDJNGGNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-17(10-22-11-17)9-20-16(21)13-4-2-3-12(7-13)14-5-6-19-8-15(14)18/h2-8H,9-11H2,1H3,(H,20,21).
What are the key properties of 3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide has a molecular weight of 300.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide is sourced from PubChem (CID 118787820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).