N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide

C19H19FN2O2 — CID 22573318

IUPACN-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide
SMILESO=C(NC1CC2CC1CN2)c1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C19H19FN2O2/c20-16-3-1-2-4-18(16)24-15-7-5-12(6-8-15)19(23)22-17-10-14-9-13(17)11-21-14/h1-8,13-14,17,21H,9-11H2,(H,22,23)
InChIKeyRONOSMSQAJTOLW-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.10
Rot. Bonds4

About N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide

N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide (PubChem CID 22573318) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide
PubChem CID22573318
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide
SMILESO=C(NC1CC2CC1CN2)c1ccc(Oc2ccccc2F)cc1
InChIInChI=1S/C19H19FN2O2/c20-16-3-1-2-4-18(16)24-15-7-5-12(6-8-15)19(23)22-17-10-14-9-13(17)11-21-14/h1-8,13-14,17,21H,9-11H2,(H,22,23)
InChIKeyRONOSMSQAJTOLW-UHFFFAOYSA-N
XLogP3.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide (CID 22573318) is N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide is O=C(NC1CC2CC1CN2)c1ccc(Oc2ccccc2F)cc1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide?
The InChIKey is RONOSMSQAJTOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-16-3-1-2-4-18(16)24-15-7-5-12(6-8-15)19(23)22-17-10-14-9-13(17)11-21-14/h1-8,13-14,17,21H,9-11H2,(H,22,23).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide?
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide has a molecular weight of 326.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide is sourced from PubChem (CID 22573318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).