4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide

C16H18FNO — CID 98122374

IUPAC4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide
SMILESO=C(NC[C@H]1C[C@@H]2C[C@@H]1[C@H]1C[C@H]21)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO/c17-12-3-1-9(2-4-12)16(19)18-8-11-5-10-6-13(11)15-7-14(10)15/h1-4,10-11,13-15H,5-8H2,(H,18,19)/t10-,11-,13+,14-,15-/m1/s1
InChIKeyCEGZNVJNBYIMCF-GBIGGCNCSA-N
MW259.32 g/mol
LogP2.85
Rot. Bonds3

About 4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide

4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide (PubChem CID 98122374) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide
PubChem CID98122374
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide
SMILESO=C(NC[C@H]1C[C@@H]2C[C@@H]1[C@H]1C[C@H]21)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO/c17-12-3-1-9(2-4-12)16(19)18-8-11-5-10-6-13(11)15-7-14(10)15/h1-4,10-11,13-15H,5-8H2,(H,18,19)/t10-,11-,13+,14-,15-/m1/s1
InChIKeyCEGZNVJNBYIMCF-GBIGGCNCSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide (CID 98122374) is 4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide is O=C(NC[C@H]1C[C@@H]2C[C@@H]1[C@H]1C[C@H]21)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide?
The InChIKey is CEGZNVJNBYIMCF-GBIGGCNCSA-N. The full InChI is InChI=1S/C16H18FNO/c17-12-3-1-9(2-4-12)16(19)18-8-11-5-10-6-13(11)15-7-14(10)15/h1-4,10-11,13-15H,5-8H2,(H,18,19)/t10-,11-,13+,14-,15-/m1/s1.
What are the key properties of 4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide?
4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide has a molecular weight of 259.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]benzamide is sourced from PubChem (CID 98122374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).