N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone

C141H136F5N7O9 — CID 158428036

About N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone

N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone (PubChem CID 158428036) has the molecular formula C141H136F5N7O9 and a molecular weight of 2167.67 g/mol. Its IUPAC name is N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone.

Molecular Properties

• Compound Name: N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
• PubChem CID: 158428036
• Molecular Formula: C141H136F5N7O9
• Molecular Weight: 2167.67 g/mol
• Exact Mass: 2166.03
• IUPAC Name: N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
• SMILES: CC(C)(C)OCc1ccccc1-c1cn(C(=O)Nc2ccc(OC(C)(F)F)cc2)c2ccccc12.CC(F)(F)Oc1ccc(NC(=O)n2cc(-c3ccccc3-c3ccccc3)c3ccccc32)cc1.CCCCCCCOc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.Cc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)c(F)c1.Cc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1
• InChI: InChI=1S/C32H37NO2.C29H22F2N2O2.C28H28F2N2O3.C26H24FNO.C26H25NO/c1-4-5-6-7-12-21-35-26-19-17-25(18-20-26)22-32(34)33-23-30(29-15-10-11-16-31(29)33)28-14-9-8-13-27(28)24(2)3;1-29(30,31)35-22-17-15-21(16-18-22)32-28(34)33-19-26(25-13-7-8-14-27(25)33)24-12-6-5-11-23(24)20-9-3-2-4-10-20;1-27(2,3)34-18-19-9-5-6-10-22(19)24-17-32(25-12-8-7-11-23(24)25)26(33)31-20-13-15-21(16-14-20)35-28(4,29)30;1-17(2)20-8-4-5-9-21(20)23-16-28(25-11-7-6-10-22(23)25)26(29)15-19-13-12-18(3)14-24(19)27;1-18(2)21-8-4-5-9-22(21)24-17-27(25-11-7-6-10-23(24)25)26(28)16-20-14-12-19(3)13-15-20/h8-11,13-20,23-24H,4-7,12,21-22H2,1-3H3;2-19H,1H3,(H,32,34);5-17H,18H2,1-4H3,(H,31,33);4-14,16-17H,15H2,1-3H3;4-15,17-18H,16H2,1-3H3
• InChIKey: HBHLKRXZKKFYAS-UHFFFAOYSA-N
• XLogP: 37.79
• TPSA: 170.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 30
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2167.67
LogP ≤ 5	37.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?

The IUPAC name of N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone (CID 158428036) is N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone.

What is the SMILES notation for N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?

The canonical SMILES for N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone is CC(C)(C)OCc1ccccc1-c1cn(C(=O)Nc2ccc(OC(C)(F)F)cc2)c2ccccc12.CC(F)(F)Oc1ccc(NC(=O)n2cc(-c3ccccc3-c3ccccc3)c3ccccc32)cc1.CCCCCCCOc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.Cc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)c(F)c1.Cc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.

What is the InChIKey of N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?

The InChIKey is HBHLKRXZKKFYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO2.C29H22F2N2O2.C28H28F2N2O3.C26H24FNO.C26H25NO/c1-4-5-6-7-12-21-35-26-19-17-25(18-20-26)22-32(34)33-23-30(29-15-10-11-16-31(29)33)28-14-9-8-13-27(28)24(2)3;1-29(30,31)35-22-17-15-21(16-18-22)32-28(34)33-19-26(25-13-7-8-14-27(25)33)24-12-6-5-11-23(24)20-9-3-2-4-10-20;1-27(2,3)34-18-19-9-5-6-10-22(19)24-17-32(25-12-8-7-11-23(24)25)26(33)31-20-13-15-21(16-14-20)35-28(4,29)30;1-17(2)20-8-4-5-9-21(20)23-16-28(25-11-7-6-10-22(23)25)26(29)15-19-13-12-18(3)14-24(19)27;1-18(2)21-8-4-5-9-22(21)24-17-27(25-11-7-6-10-23(24)25)26(28)16-20-14-12-19(3)13-15-20/h8-11,13-20,23-24H,4-7,12,21-22H2,1-3H3;2-19H,1H3,(H,32,34);5-17H,18H2,1-4H3,(H,31,33);4-14,16-17H,15H2,1-3H3;4-15,17-18H,16H2,1-3H3.

What are the key properties of N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?

N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone has a molecular weight of 2167.67 g/mol, XLogP of 37.79, 30 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-phenylphenyl)indole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-heptoxyphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;2-(4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone is sourced from PubChem (CID 158428036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).