2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide

C21H18F4N6O2 — CID 53373533

IUPAC2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
SMILESCNC(=O)c1cc(Nc2ncnc(N3CC(Oc4ccc(C(F)(F)F)cc4)C3)n2)ccc1F
InChIInChI=1S/C21H18F4N6O2/c1-26-18(32)16-8-13(4-7-17(16)22)29-19-27-11-28-20(30-19)31-9-15(10-31)33-14-5-2-12(3-6-14)21(23,24)25/h2-8,11,15H,9-10H2,1H3,(H,26,32)(H,27,28,29,30)
InChIKeyXTAYGNQXKUWVPX-UHFFFAOYSA-N
MW462.41 g/mol
LogP3.40
Rot. Bonds6

About 2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide

2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 53373533) has the molecular formula C21H18F4N6O2 and a molecular weight of 462.41 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID53373533
Molecular FormulaC21H18F4N6O2
Molecular Weight462.41 g/mol
Exact Mass462.14
IUPAC Name2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
SMILESCNC(=O)c1cc(Nc2ncnc(N3CC(Oc4ccc(C(F)(F)F)cc4)C3)n2)ccc1F
InChIInChI=1S/C21H18F4N6O2/c1-26-18(32)16-8-13(4-7-17(16)22)29-19-27-11-28-20(30-19)31-9-15(10-31)33-14-5-2-12(3-6-14)21(23,24)25/h2-8,11,15H,9-10H2,1H3,(H,26,32)(H,27,28,29,30)
InChIKeyXTAYGNQXKUWVPX-UHFFFAOYSA-N
XLogP3.40
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide 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 2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of 2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide (CID 53373533) is 2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide is CNC(=O)c1cc(Nc2ncnc(N3CC(Oc4ccc(C(F)(F)F)cc4)C3)n2)ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is XTAYGNQXKUWVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N6O2/c1-26-18(32)16-8-13(4-7-17(16)22)29-19-27-11-28-20(30-19)31-9-15(10-31)33-14-5-2-12(3-6-14)21(23,24)25/h2-8,11,15H,9-10H2,1H3,(H,26,32)(H,27,28,29,30).
What are the key properties of 2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide has a molecular weight of 462.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 53373533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).