2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide

C15H19FN2O — CID 79795341

IUPAC2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN3CCCC23)c(F)c1
InChIInChI=1S/C15H19FN2O/c1-10-4-5-11(12(16)9-10)15(19)17-13-6-8-18-7-2-3-14(13)18/h4-5,9,13-14H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyAZOXZJKZGFPSBN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.10
Rot. Bonds2

About 2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide

2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide (PubChem CID 79795341) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
PubChem CID79795341
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN3CCCC23)c(F)c1
InChIInChI=1S/C15H19FN2O/c1-10-4-5-11(12(16)9-10)15(19)17-13-6-8-18-7-2-3-14(13)18/h4-5,9,13-14H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyAZOXZJKZGFPSBN-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide?
The IUPAC name of 2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide (CID 79795341) is 2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC2CCN3CCCC23)c(F)c1.
What is the InChIKey of 2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide?
The InChIKey is AZOXZJKZGFPSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10-4-5-11(12(16)9-10)15(19)17-13-6-8-18-7-2-3-14(13)18/h4-5,9,13-14H,2-3,6-8H2,1H3,(H,17,19).
What are the key properties of 2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide?
2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide has a molecular weight of 262.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylbenzamide is sourced from PubChem (CID 79795341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).