N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide

C128H109Cl3F12N14O18 — CID 157094250

About N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide

N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 157094250) has the molecular formula C128H109Cl3F12N14O18 and a molecular weight of 2465.69 g/mol. Its IUPAC name is N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
• PubChem CID: 157094250
• Molecular Formula: C128H109Cl3F12N14O18
• Molecular Weight: 2465.69 g/mol
• Exact Mass: 2462.69
• IUPAC Name: N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
• SMILES: CC(C)n1cccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.CC(C)n1nccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.CCn1cccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1.Cc1cc2c(cc1-c1ccc(NC(=O)c3cccn3C(C)C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccnn3C(C)C)cc1)OC(F)(F)O2.Cn1cc2c(c1C(=O)Nc1ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cc1)CCCC2
• InChI: InChI=1S/C23H19ClF2N2O3.C22H20F2N2O3.C21H17ClF2N2O3.C21H19F2N3O3.C21H18F2N2O3.C20H16ClF2N3O3/c1-28-12-14-4-2-3-5-16(14)21(28)22(29)27-15-8-6-13(7-9-15)17-10-19-20(11-18(17)24)31-23(25,26)30-19;1-13(2)26-10-4-5-18(26)21(27)25-16-8-6-15(7-9-16)17-12-20-19(11-14(17)3)28-22(23,24)29-20;1-12(2)26-9-3-4-17(26)20(27)25-14-7-5-13(6-8-14)15-10-18-19(11-16(15)22)29-21(23,24)28-18;1-12(2)26-17(8-9-24-26)20(27)25-15-6-4-14(5-7-15)16-11-19-18(10-13(16)3)28-21(22,23)29-19;1-3-25-10-4-5-17(25)20(26)24-15-8-6-14(7-9-15)16-12-19-18(11-13(16)2)27-21(22,23)28-19;1-11(2)26-16(7-8-24-26)19(27)25-13-5-3-12(4-6-13)14-9-17-18(10-15(14)21)29-20(22,23)28-17/h6-12H,2-5H2,1H3,(H,27,29);4-13H,1-3H3,(H,25,27);3-12H,1-2H3,(H,25,27);4-12H,1-3H3,(H,25,27);4-12H,3H2,1-2H3,(H,24,26);3-11H,1-2H3,(H,25,27)
• InChIKey: AFAFMDYXUGWCCC-UHFFFAOYSA-N
• XLogP: 32.81
• TPSA: 340.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2465.69
LogP ≤ 5	32.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?

The IUPAC name of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 157094250) is N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide.

What is the SMILES notation for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?

The canonical SMILES for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.CC(C)n1nccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.CCn1cccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1.Cc1cc2c(cc1-c1ccc(NC(=O)c3cccn3C(C)C)cc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccnn3C(C)C)cc1)OC(F)(F)O2.Cn1cc2c(c1C(=O)Nc1ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cc1)CCCC2.

What is the InChIKey of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?

The InChIKey is AFAFMDYXUGWCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N2O3.C22H20F2N2O3.C21H17ClF2N2O3.C21H19F2N3O3.C21H18F2N2O3.C20H16ClF2N3O3/c1-28-12-14-4-2-3-5-16(14)21(28)22(29)27-15-8-6-13(7-9-15)17-10-19-20(11-18(17)24)31-23(25,26)30-19;1-13(2)26-10-4-5-18(26)21(27)25-16-8-6-15(7-9-16)17-12-20-19(11-14(17)3)28-22(23,24)29-20;1-12(2)26-9-3-4-17(26)20(27)25-14-7-5-13(6-8-14)15-10-18-19(11-16(15)22)29-21(23,24)28-18;1-12(2)26-17(8-9-24-26)20(27)25-15-6-4-14(5-7-15)16-11-19-18(10-13(16)3)28-21(22,23)29-19;1-3-25-10-4-5-17(25)20(26)24-15-8-6-14(7-9-15)16-12-19-18(11-13(16)2)27-21(22,23)28-19;1-11(2)26-16(7-8-24-26)19(27)25-13-5-3-12(4-6-13)14-9-17-18(10-15(14)21)29-20(22,23)28-17/h6-12H,2-5H2,1H3,(H,27,29);4-13H,1-3H3,(H,25,27);3-12H,1-2H3,(H,25,27);4-12H,1-3H3,(H,25,27);4-12H,3H2,1-2H3,(H,24,26);3-11H,1-2H3,(H,25,27).

What are the key properties of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?

N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 2465.69 g/mol, XLogP of 32.81, 23 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 157094250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).