1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen

C120H125F6N9O16 — CID 159777689

About 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159777689) has the molecular formula C120H125F6N9O16 and a molecular weight of 2063.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 159777689
• Molecular Formula: C120H125F6N9O16
• Molecular Weight: 2063.35 g/mol
• Exact Mass: 2061.91
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)COC5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@H](O)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)c2[nH]1.CN(C(=O)C1(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)cc(C(C)(C)C)n2C.Cc1c[nH]c2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc12.[H][H]
• InChI: InChI=1S/C26H27F3N2O5.C25H28N2O3.C24H23F3N2O3.C24H26N2O2.C21H19NO3.H2/c1-24(2,3)22-9-14-8-18(17(27)11-19(14)31(22)12-16(33)13-32)30-23(34)25(6-7-25)15-4-5-20-21(10-15)36-26(28,29)35-20;1-24(2,3)22-13-16-12-18(7-8-19(16)27(22)5)26(4)23(28)25(10-11-25)17-6-9-20-21(14-17)30-15-29-20;1-22(2,3)19-9-13-8-15(11-16(20(13)29-19)24(25,26)27)28-21(30)23(6-7-23)14-4-5-17-18(10-14)32-12-31-17;1-23(2,3)21-12-16-11-19(6-7-20(16)26-21)25-22(27)24(8-9-24)18-5-4-15-13-28-14-17(15)10-18;1-13-11-22-17-8-14(2-4-16(13)17)9-20(23)21(6-7-21)15-3-5-18-19(10-15)25-12-24-18;/h4-5,8-11,16,32-33H,6-7,12-13H2,1-3H3,(H,30,34);6-9,12-14H,10-11,15H2,1-5H3;4-5,8-11,29H,6-7,12H2,1-3H3,(H,28,30);4-7,10-12,26H,8-9,13-14H2,1-3H3,(H,25,27);2-5,8,10-11,22H,6-7,9,12H2,1H3;1H/t16-;;;;;/m0...../s1
• InChIKey: NGYNEICCYCAQFP-KVDBKFDSSA-N
• XLogP: 24.67
• TPSA: 305.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2063.35
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen (CID 159777689) is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)COC5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@H](O)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)c2[nH]1.CN(C(=O)C1(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)cc(C(C)(C)C)n2C.Cc1c[nH]c2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc12.[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is NGYNEICCYCAQFP-KVDBKFDSSA-N. The full InChI is InChI=1S/C26H27F3N2O5.C25H28N2O3.C24H23F3N2O3.C24H26N2O2.C21H19NO3.H2/c1-24(2,3)22-9-14-8-18(17(27)11-19(14)31(22)12-16(33)13-32)30-23(34)25(6-7-25)15-4-5-20-21(10-15)36-26(28,29)35-20;1-24(2,3)22-13-16-12-18(7-8-19(16)27(22)5)26(4)23(28)25(10-11-25)17-6-9-20-21(14-17)30-15-29-20;1-22(2,3)19-9-13-8-15(11-16(20(13)29-19)24(25,26)27)28-21(30)23(6-7-23)14-4-5-17-18(10-14)32-12-31-17;1-23(2,3)21-12-16-11-19(6-7-20(16)26-21)25-22(27)24(8-9-24)18-5-4-15-13-28-14-17(15)10-18;1-13-11-22-17-8-14(2-4-16(13)17)9-20(23)21(6-7-21)15-3-5-18-19(10-15)25-12-24-18;/h4-5,8-11,16,32-33H,6-7,12-13H2,1-3H3,(H,30,34);6-9,12-14H,10-11,15H2,1-5H3;4-5,8-11,29H,6-7,12H2,1-3H3,(H,28,30);4-7,10-12,26H,8-9,13-14H2,1-3H3,(H,25,27);2-5,8,10-11,22H,6-7,9,12H2,1H3;1H/t16-;;;;;/m0...../s1.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2063.35 g/mol, XLogP of 24.67, 19 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1-methylindol-5-yl)-N-methylcyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-7-(trifluoromethyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-methyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]-6-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159777689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).