N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide

C47H26Cl2F10N6O7S — CID 170750863

About N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 170750863) has the molecular formula C47H26Cl2F10N6O7S and a molecular weight of 1079.71 g/mol. Its IUPAC name is N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
• PubChem CID: 170750863
• Molecular Formula: C47H26Cl2F10N6O7S
• Molecular Weight: 1079.71 g/mol
• Exact Mass: 1078.08
• IUPAC Name: N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
• SMILES: CN1C(=O)c2cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c3c(c21)C(=O)NC3c1cc(F)ccc1Cl.O=C(Nc1cc2c(c3c1C(c1cc(F)ccc1Cl)NC3=O)CNS2(=O)=O)c1cc(F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C24H13ClF5N3O3.C23H13ClF5N3O4S/c1-33-20-14(23(33)36)8-16(31-21(34)9-4-10(24(28,29)30)6-12(27)5-9)17-18(20)22(35)32-19(17)13-7-11(26)2-3-15(13)25;24-15-2-1-11(25)6-13(15)20-19-16(7-17-14(8-30-37(17,35)36)18(19)22(34)32-20)31-21(33)9-3-10(23(27,28)29)5-12(26)4-9/h2-8,19H,1H3,(H,31,34)(H,32,35);1-7,20,30H,8H2,(H,31,33)(H,32,34)
• InChIKey: YWMVWMXCBZRUAB-UHFFFAOYSA-N
• XLogP: 9.83
• TPSA: 182.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1079.71
LogP ≤ 5	9.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?

The IUPAC name of N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 170750863) is N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?

The canonical SMILES for N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide is CN1C(=O)c2cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)c3c(c21)C(=O)NC3c1cc(F)ccc1Cl.O=C(Nc1cc2c(c3c1C(c1cc(F)ccc1Cl)NC3=O)CNS2(=O)=O)c1cc(F)cc(C(F)(F)F)c1.

What is the InChIKey of N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?

The InChIKey is YWMVWMXCBZRUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClF5N3O3.C23H13ClF5N3O4S/c1-33-20-14(23(33)36)8-16(31-21(34)9-4-10(24(28,29)30)6-12(27)5-9)17-18(20)22(35)32-19(17)13-7-11(26)2-3-15(13)25;24-15-2-1-11(25)6-13(15)20-19-16(7-17-14(8-30-37(17,35)36)18(19)22(34)32-20)31-21(33)9-3-10(23(27,28)29)5-12(26)4-9/h2-8,19H,1H3,(H,31,34)(H,32,35);1-7,20,30H,8H2,(H,31,33)(H,32,34).

What are the key properties of N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide?

N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 1079.71 g/mol, XLogP of 9.83, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-chloro-5-fluorophenyl)-1-methyl-2,7-dioxo-5,6-dihydroazeto[2,3-e]isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide;N-[6-(2-chloro-5-fluorophenyl)-3,3,8-trioxo-1,2,6,7-tetrahydropyrrolo[3,4-e][1,2]benzothiazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 170750863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).