4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide

C25H19F3N4O2 — CID 58396804

About 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide

4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide (PubChem CID 58396804) has the molecular formula C25H19F3N4O2 and a molecular weight of 464.45 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
• PubChem CID: 58396804
• Molecular Formula: C25H19F3N4O2
• Molecular Weight: 464.45 g/mol
• Exact Mass: 464.15
• IUPAC Name: 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide
• SMILES: Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ccncn2)c1
• InChI: InChI=1S/C25H19F3N4O2/c1-15-6-8-18(25(26,27)28)13-21(15)32-23(33)17-7-5-16(2)22(12-17)34-24-19(4-3-10-30-24)20-9-11-29-14-31-20/h3-14H,1-2H3,(H,32,33)
• InChIKey: CPBYHDABMQEZOY-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.45
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?

The IUPAC name of 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide (CID 58396804) is 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide.

What is the SMILES notation for 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?

The canonical SMILES for 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide is Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ccncn2)c1.

What is the InChIKey of 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?

The InChIKey is CPBYHDABMQEZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O2/c1-15-6-8-18(25(26,27)28)13-21(15)32-23(33)17-7-5-16(2)22(12-17)34-24-19(4-3-10-30-24)20-9-11-29-14-31-20/h3-14H,1-2H3,(H,32,33).

What are the key properties of 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide?

4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide has a molecular weight of 464.45 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 58396804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).