2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone

C109H94F9N7O7S — CID 123677342

About 2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone

2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone (PubChem CID 123677342) has the molecular formula C109H94F9N7O7S and a molecular weight of 1817.04 g/mol. Its IUPAC name is 2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
• PubChem CID: 123677342
• Molecular Formula: C109H94F9N7O7S
• Molecular Weight: 1817.04 g/mol
• Exact Mass: 1815.68
• IUPAC Name: 2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
• SMILES: CC(C)c1ccccc1-c1cn(C(=O)Cc2ccc(C(=O)c3ccccc3)cc2)c2ccccc12.CC(C)c1ccccc1-c1cn(C(=O)Cc2ccc(SC(C)(F)F)cc2)c2ccccc12.CC(F)(F)Oc1ccc(NC(=O)n2cc(-c3ccccc3C(F)(F)F)c3ccccc32)cc1.CN(C)Cc1ccccc1-c1cn(C(=O)Nc2ccc(OC(C)(F)F)cc2)c2ccccc12
• InChI: InChI=1S/C32H27NO2.C27H25F2NOS.C26H25F2N3O2.C24H17F5N2O2/c1-22(2)26-12-6-7-13-27(26)29-21-33(30-15-9-8-14-28(29)30)31(34)20-23-16-18-25(19-17-23)32(35)24-10-4-3-5-11-24;1-18(2)21-8-4-5-9-22(21)24-17-30(25-11-7-6-10-23(24)25)26(31)16-19-12-14-20(15-13-19)32-27(3,28)29;1-26(27,28)33-20-14-12-19(13-15-20)29-25(32)31-17-23(22-10-6-7-11-24(22)31)21-9-5-4-8-18(21)16-30(2)3;1-23(25,26)33-16-12-10-15(11-13-16)30-22(32)31-14-19(18-7-3-5-9-21(18)31)17-6-2-4-8-20(17)24(27,28)29/h3-19,21-22H,20H2,1-2H3;4-15,17-18H,16H2,1-3H3;4-15,17H,16H2,1-3H3,(H,29,32);2-14H,1H3,(H,30,32)
• InChIKey: XSRUFCAKYUCUKM-UHFFFAOYSA-N
• XLogP: 29.41
• TPSA: 150.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1817.04
LogP ≤ 5	29.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?

The IUPAC name of 2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone (CID 123677342) is 2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone.

What is the SMILES notation for 2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?

The canonical SMILES for 2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone is CC(C)c1ccccc1-c1cn(C(=O)Cc2ccc(C(=O)c3ccccc3)cc2)c2ccccc12.CC(C)c1ccccc1-c1cn(C(=O)Cc2ccc(SC(C)(F)F)cc2)c2ccccc12.CC(F)(F)Oc1ccc(NC(=O)n2cc(-c3ccccc3C(F)(F)F)c3ccccc32)cc1.CN(C)Cc1ccccc1-c1cn(C(=O)Nc2ccc(OC(C)(F)F)cc2)c2ccccc12.

What is the InChIKey of 2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?

The InChIKey is XSRUFCAKYUCUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO2.C27H25F2NOS.C26H25F2N3O2.C24H17F5N2O2/c1-22(2)26-12-6-7-13-27(26)29-21-33(30-15-9-8-14-28(29)30)31(34)20-23-16-18-25(19-17-23)32(35)24-10-4-3-5-11-24;1-18(2)21-8-4-5-9-22(21)24-17-30(25-11-7-6-10-23(24)25)26(31)16-19-12-14-20(15-13-19)32-27(3,28)29;1-26(27,28)33-20-14-12-19(13-15-20)29-25(32)31-17-23(22-10-6-7-11-24(22)31)21-9-5-4-8-18(21)16-30(2)3;1-23(25,26)33-16-12-10-15(11-13-16)30-22(32)31-14-19(18-7-3-5-9-21(18)31)17-6-2-4-8-20(17)24(27,28)29/h3-19,21-22H,20H2,1-2H3;4-15,17-18H,16H2,1-3H3;4-15,17H,16H2,1-3H3,(H,29,32);2-14H,1H3,(H,30,32).

What are the key properties of 2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?

2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone has a molecular weight of 1817.04 g/mol, XLogP of 29.41, 22 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-benzoylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(dimethylamino)methyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethylsulfanyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone is sourced from PubChem (CID 123677342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).