4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide

C22H25FN2O — CID 22405862

IUPAC4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide
SMILESCN(CCN1CC2CC(c3ccccc3)C2C1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O/c1-24(22(26)17-7-9-19(23)10-8-17)11-12-25-14-18-13-20(21(18)15-25)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3
InChIKeyFRJXPJMITZUSHQ-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.63
Rot. Bonds5

About 4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide

4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide (PubChem CID 22405862) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide
PubChem CID22405862
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide
SMILESCN(CCN1CC2CC(c3ccccc3)C2C1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H25FN2O/c1-24(22(26)17-7-9-19(23)10-8-17)11-12-25-14-18-13-20(21(18)15-25)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3
InChIKeyFRJXPJMITZUSHQ-UHFFFAOYSA-N
XLogP3.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide (CID 22405862) is 4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide is CN(CCN1CC2CC(c3ccccc3)C2C1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide?
The InChIKey is FRJXPJMITZUSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-24(22(26)17-7-9-19(23)10-8-17)11-12-25-14-18-13-20(21(18)15-25)16-5-3-2-4-6-16/h2-10,18,20-21H,11-15H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide?
4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide has a molecular weight of 352.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide is sourced from PubChem (CID 22405862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).