N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide

C19H18F2N2O — CID 3527307

IUPACN-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide
SMILESO=C(NC1CCN2CCCc3cccc1c32)c1c(F)cccc1F
InChIInChI=1S/C19H18F2N2O/c20-14-7-2-8-15(21)17(14)19(24)22-16-9-11-23-10-3-5-12-4-1-6-13(16)18(12)23/h1-2,4,6-8,16H,3,5,9-11H2,(H,22,24)
InChIKeyDBFQDXMJJULNNP-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.59
Rot. Bonds2

About N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide

N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide (PubChem CID 3527307) has the molecular formula C19H18F2N2O and a molecular weight of 328.36 g/mol. Its IUPAC name is N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide
PubChem CID3527307
Molecular FormulaC19H18F2N2O
Molecular Weight328.36 g/mol
Exact Mass328.14
IUPAC NameN-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide
SMILESO=C(NC1CCN2CCCc3cccc1c32)c1c(F)cccc1F
InChIInChI=1S/C19H18F2N2O/c20-14-7-2-8-15(21)17(14)19(24)22-16-9-11-23-10-3-5-12-4-1-6-13(16)18(12)23/h1-2,4,6-8,16H,3,5,9-11H2,(H,22,24)
InChIKeyDBFQDXMJJULNNP-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide (CID 3527307) is N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide is O=C(NC1CCN2CCCc3cccc1c32)c1c(F)cccc1F.
What is the InChIKey of N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide?
The InChIKey is DBFQDXMJJULNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O/c20-14-7-2-8-15(21)17(14)19(24)22-16-9-11-23-10-3-5-12-4-1-6-13(16)18(12)23/h1-2,4,6-8,16H,3,5,9-11H2,(H,22,24).
What are the key properties of N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide?
N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide has a molecular weight of 328.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 3527307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).