About N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-[(2-fluorophenyl)methyl]-1H-indol-5-yl]ethanone;6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-3-carbonitrile;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-chloro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(oxolan-3-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-[(2-fluorophenyl)methyl]-1H-indol-5-yl]ethanone;6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-3-carbonitrile;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-chloro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(oxolan-3-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide (PubChem CID 158970970) has the molecular formula C153H149ClF8N12O21
and a molecular weight of 2679.37 g/mol. Its IUPAC name is N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-[(2-fluorophenyl)methyl]-1H-indol-5-yl]ethanone;6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-3-carbonitrile;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-chloro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(oxolan-3-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-[(2-fluorophenyl)methyl]-1H-indol-5-yl]ethanone;6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-3-carbonitrile;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-chloro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(oxolan-3-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-[(2-fluorophenyl)methyl]-1H-indol-5-yl]ethanone;6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-3-carbonitrile;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-chloro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(oxolan-3-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide (CID 158970970) is N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-[(2-fluorophenyl)methyl]-1H-indol-5-yl]ethanone;6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-3-carbonitrile;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-chloro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(oxolan-3-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-[(2-fluorophenyl)methyl]-1H-indol-5-yl]ethanone;6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-3-carbonitrile;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-chloro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(oxolan-3-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-[(2-fluorophenyl)methyl]-1H-indol-5-yl]ethanone;6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-3-carbonitrile;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-chloro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(oxolan-3-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide is CC(=O)NCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc21.CC(C)(C)c1[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2c1Cc1ccccc1F.CC(C)(C)c1cc2cc(NC(=O)C3(c4cc(Cl)c5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc(F)c2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C1CCOC1.N#Cc1c[nH]c2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc12.
What is the InChIKey of N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-[(2-fluorophenyl)methyl]-1H-indol-5-yl]ethanone;6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-3-carbonitrile;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-chloro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(oxolan-3-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is JNUUFEWXYHOXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FNO3.C28H31F2N3O5.C27H28F2N2O4.C23H23ClN2O3.C23H21F3N2O3.C21H16N2O3/c1-30(2,3)29-23(16-20-6-4-5-7-24(20)32)22-14-19(8-10-25(22)33-29)15-28(34)31(12-13-31)21-9-11-26-27(17-21)36-18-35-26;1-16(34)31-14-20(35)15-33-21-7-6-19(11-17(21)12-24(33)26(2,3)4)32-25(36)27(9-10-27)18-5-8-22-23(13-18)38-28(29,30)37-22;1-25(2,3)23-13-16-12-18(5-6-20(16)31(23)19-8-11-33-15-19)30-24(32)26(9-10-26)17-4-7-21-22(14-17)35-27(28,29)34-21;1-22(2,3)19-9-13-8-15(4-5-17(13)26-19)25-21(27)23(6-7-23)14-10-16(24)20-18(11-14)28-12-29-20;1-21(2,3)18-9-12-8-14(11-15(24)19(12)28-18)27-20(29)22(6-7-22)13-4-5-16-17(10-13)31-23(25,26)30-16;22-10-14-11-23-17-7-13(1-3-16(14)17)8-20(24)21(5-6-21)15-2-4-18-19(9-15)26-12-25-18/h4-11,14,17,33H,12-13,15-16,18H2,1-3H3;5-8,11-13,20,35H,9-10,14-15H2,1-4H3,(H,31,34)(H,32,36);4-7,12-14,19H,8-11,15H2,1-3H3,(H,30,32);4-5,8-11,26H,6-7,12H2,1-3H3,(H,25,27);4-5,8-11,28H,6-7H2,1-3H3,(H,27,29);1-4,7,9,11,23H,5-6,8,12H2.
What are the key properties of N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-[(2-fluorophenyl)methyl]-1H-indol-5-yl]ethanone;6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-3-carbonitrile;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-chloro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(oxolan-3-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-[(2-fluorophenyl)methyl]-1H-indol-5-yl]ethanone;6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-3-carbonitrile;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-chloro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(oxolan-3-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 2679.37 g/mol, XLogP of 31.81, 27 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-3-[(2-fluorophenyl)methyl]-1H-indol-5-yl]ethanone;6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-3-carbonitrile;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-chloro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(oxolan-3-yl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158970970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).