4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide

C22H13F8N3O4 — CID 137406338

About 4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide

4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide (PubChem CID 137406338) has the molecular formula C22H13F8N3O4 and a molecular weight of 535.35 g/mol. Its IUPAC name is 4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide
• PubChem CID: 137406338
• Molecular Formula: C22H13F8N3O4
• Molecular Weight: 535.35 g/mol
• Exact Mass: 535.08
• IUPAC Name: 4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide
• SMILES: Cc1cnc(C(N)=O)cc1NC(=O)c1c(Oc2ccc(OC(F)(F)F)c(F)c2)ccc(C(F)(F)F)c1F
• InChI: InChI=1S/C22H13F8N3O4/c1-9-8-32-14(19(31)34)7-13(9)33-20(35)17-16(5-3-11(18(17)24)21(25,26)27)36-10-2-4-15(12(23)6-10)37-22(28,29)30/h2-8H,1H3,(H2,31,34)(H,32,33,35)
• InChIKey: OYZJFVQSKBKAHN-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 103.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.35
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide?

The IUPAC name of 4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide (CID 137406338) is 4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide.

What is the SMILES notation for 4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide?

The canonical SMILES for 4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide is Cc1cnc(C(N)=O)cc1NC(=O)c1c(Oc2ccc(OC(F)(F)F)c(F)c2)ccc(C(F)(F)F)c1F.

What is the InChIKey of 4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide?

The InChIKey is OYZJFVQSKBKAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F8N3O4/c1-9-8-32-14(19(31)34)7-13(9)33-20(35)17-16(5-3-11(18(17)24)21(25,26)27)36-10-2-4-15(12(23)6-10)37-22(28,29)30/h2-8H,1H3,(H2,31,34)(H,32,33,35).

What are the key properties of 4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide?

4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide has a molecular weight of 535.35 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 137406338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).