4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide

C43H28ClF9N8O10 — CID 87984234

About 4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide

4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide (PubChem CID 87984234) has the molecular formula C43H28ClF9N8O10 and a molecular weight of 1023.18 g/mol. Its IUPAC name is 4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide
• PubChem CID: 87984234
• Molecular Formula: C43H28ClF9N8O10
• Molecular Weight: 1023.18 g/mol
• Exact Mass: 1022.15
• IUPAC Name: 4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide
• SMILES: CNC(=O)c1cncc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)cc2F)c1.NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)cc2Cl)ccn1
• InChI: InChI=1S/C22H15F5N4O5.C21H13ClF4N4O5/c1-28-19(32)11-6-14(10-29-9-11)34-18-5-3-13(8-16(18)23)31-20(33)30-12-2-4-17-15(7-12)21(24,25)36-22(26,27)35-17;22-14-8-11(2-4-17(14)33-12-5-6-28-15(9-12)18(27)31)30-19(32)29-10-1-3-16-13(7-10)20(23,24)35-21(25,26)34-16/h2-10H,1H3,(H,28,32)(H2,30,31,33);1-9H,(H2,27,31)(H2,29,30,32)
• InChIKey: DARQNCPQOSJWRD-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 235.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1023.18
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide?

The IUPAC name of 4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide (CID 87984234) is 4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)cc2F)c1.NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)C(F)(F)OC(F)(F)O4)cc2Cl)ccn1.

What is the InChIKey of 4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide?

The InChIKey is DARQNCPQOSJWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N4O5.C21H13ClF4N4O5/c1-28-19(32)11-6-14(10-29-9-11)34-18-5-3-13(8-16(18)23)31-20(33)30-12-2-4-17-15(7-12)21(24,25)36-22(26,27)35-17;22-14-8-11(2-4-17(14)33-12-5-6-28-15(9-12)18(27)31)30-19(32)29-10-1-3-16-13(7-10)20(23,24)35-21(25,26)34-16/h2-10H,1H3,(H,28,32)(H2,30,31,33);1-9H,(H2,27,31)(H2,29,30,32).

What are the key properties of 4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide?

4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide has a molecular weight of 1023.18 g/mol, XLogP of 10.30, 10 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-chloro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide;5-[2-fluoro-4-[(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)carbamoylamino]phenoxy]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 87984234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).