N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide

C25H19ClF3N5O2 — CID 58396624

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide (PubChem CID 58396624) has the molecular formula C25H19ClF3N5O2 and a molecular weight of 513.91 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide
• PubChem CID: 58396624
• Molecular Formula: C25H19ClF3N5O2
• Molecular Weight: 513.91 g/mol
• Exact Mass: 513.12
• IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide
• SMILES: CCc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)n1
• InChI: InChI=1S/C25H19ClF3N5O2/c1-3-21-31-13-32-22(34-21)17-5-4-10-30-24(17)36-20-11-15(7-6-14(20)2)23(35)33-19-12-16(25(27,28)29)8-9-18(19)26/h4-13H,3H2,1-2H3,(H,33,35)
• InChIKey: RGEXEOGLNDEXMD-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 89.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.91
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide?

The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide (CID 58396624) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide.

What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide?

The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide is CCc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)n1.

What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide?

The InChIKey is RGEXEOGLNDEXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N5O2/c1-3-21-31-13-32-22(34-21)17-5-4-10-30-24(17)36-20-11-15(7-6-14(20)2)23(35)33-19-12-16(25(27,28)29)8-9-18(19)26/h4-13H,3H2,1-2H3,(H,33,35).

What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide?

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide has a molecular weight of 513.91 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methylbenzamide is sourced from PubChem (CID 58396624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).