1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

C123H143F5N10O18 — CID 162100036

About 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 162100036) has the molecular formula C123H143F5N10O18 and a molecular weight of 2144.54 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 162100036
• Molecular Formula: C123H143F5N10O18
• Molecular Weight: 2144.54 g/mol
• Exact Mass: 2143.05
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(C)(C)c1c[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc12.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2n1CC1CCCOC1.CC(C)(CCO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CNCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.O=C(Nc1cc2[nH]ccc2cc1F)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C29H33FN2O4.C27H33N3O4.C24H23F3N2O4.C24H25NO3.C19H15FN2O3.7H2/c1-28(2,3)26-12-19-11-22(21(30)14-23(19)32(26)15-18-5-4-10-34-16-18)31-27(33)29(8-9-29)20-6-7-24-25(13-20)36-17-35-24;1-26(2,3)24-12-17-11-19(6-7-21(17)30(24)15-20(31)14-28-4)29-25(32)27(9-10-27)18-5-8-22-23(13-18)34-16-33-22;1-22(2,7-8-30)20-10-13-9-17(15(25)12-16(13)28-20)29-21(31)23(5-6-23)14-3-4-18-19(11-14)33-24(26,27)32-18;1-23(2,3)18-13-25-19-6-4-15(10-17(18)19)11-22(26)24(8-9-24)16-5-7-20-21(12-16)28-14-27-20;20-13-7-11-3-6-21-14(11)9-15(13)22-18(23)19(4-5-19)12-1-2-16-17(8-12)25-10-24-16;;;;;;;/h6-7,11-14,18H,4-5,8-10,15-17H2,1-3H3,(H,31,33);5-8,11-13,20,28,31H,9-10,14-16H2,1-4H3,(H,29,32);3-4,9-12,28,30H,5-8H2,1-2H3,(H,29,31);4-7,10,12-13,25H,8-9,11,14H2,1-3H3;1-3,6-9,21H,4-5,10H2,(H,22,23);7*1H
• InChIKey: ZETIKUDVNKKLSL-UHFFFAOYSA-N
• XLogP: 25.25
• TPSA: 344.72 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2144.54
LogP ≤ 5	25.25
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen (CID 162100036) is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C)c1c[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc12.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2n1CC1CCCOC1.CC(C)(CCO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CNCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.O=C(Nc1cc2[nH]ccc2cc1F)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is ZETIKUDVNKKLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O4.C27H33N3O4.C24H23F3N2O4.C24H25NO3.C19H15FN2O3.7H2/c1-28(2,3)26-12-19-11-22(21(30)14-23(19)32(26)15-18-5-4-10-34-16-18)31-27(33)29(8-9-29)20-6-7-24-25(13-20)36-17-35-24;1-26(2,3)24-12-17-11-19(6-7-21(17)30(24)15-20(31)14-28-4)29-25(32)27(9-10-27)18-5-8-22-23(13-18)34-16-33-22;1-22(2,7-8-30)20-10-13-9-17(15(25)12-16(13)28-20)29-21(31)23(5-6-23)14-3-4-18-19(11-14)33-24(26,27)32-18;1-23(2,3)18-13-25-19-6-4-15(10-17(18)19)11-22(26)24(8-9-24)16-5-7-20-21(12-16)28-14-27-20;20-13-7-11-3-6-21-14(11)9-15(13)22-18(23)19(4-5-19)12-1-2-16-17(8-12)25-10-24-16;;;;;;;/h6-7,11-14,18H,4-5,8-10,15-17H2,1-3H3,(H,31,33);5-8,11-13,20,28,31H,9-10,14-16H2,1-4H3,(H,29,32);3-4,9-12,28,30H,5-8H2,1-2H3,(H,29,31);4-7,10,12-13,25H,8-9,11,14H2,1-3H3;1-3,6-9,21H,4-5,10H2,(H,22,23);7*1H.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2144.54 g/mol, XLogP of 25.25, 25 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 162100036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).