N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone

C77H67F3N4O4 — CID 123274828

About N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone

N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone (PubChem CID 123274828) has the molecular formula C77H67F3N4O4 and a molecular weight of 1169.40 g/mol. Its IUPAC name is N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone.

Molecular Properties

• Compound Name: N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone
• PubChem CID: 123274828
• Molecular Formula: C77H67F3N4O4
• Molecular Weight: 1169.40 g/mol
• Exact Mass: 1168.51
• IUPAC Name: N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone
• SMILES: C#CCc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.CC(F)(F)Oc1ccc(NC(=O)n2cc(-c3ccccc3)c3ccccc32)cc1.Cc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)c(F)c1
• InChI: InChI=1S/C28H25NO.C26H24FNO.C23H18F2N2O2/c1-4-9-21-14-16-22(17-15-21)18-28(30)29-19-26(25-12-7-8-13-27(25)29)24-11-6-5-10-23(24)20(2)3;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;1-23(24,25)29-18-13-11-17(12-14-18)26-22(28)27-15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)27/h1,5-8,10-17,19-20H,9,18H2,2-3H3;4-14,16-17H,15H2,1-3H3;2-15H,1H3,(H,26,28)
• InChIKey: IPQGECOCWDNTRC-UHFFFAOYSA-N
• XLogP: 19.63
• TPSA: 87.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1169.40
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone?

The IUPAC name of N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone (CID 123274828) is N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone.

What is the SMILES notation for N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone?

The canonical SMILES for N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone is C#CCc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)cc1.CC(F)(F)Oc1ccc(NC(=O)n2cc(-c3ccccc3)c3ccccc32)cc1.Cc1ccc(CC(=O)n2cc(-c3ccccc3C(C)C)c3ccccc32)c(F)c1.

What is the InChIKey of N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone?

The InChIKey is IPQGECOCWDNTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO.C26H24FNO.C23H18F2N2O2/c1-4-9-21-14-16-22(17-15-21)18-28(30)29-19-26(25-12-7-8-13-27(25)29)24-11-6-5-10-23(24)20(2)3;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;1-23(24,25)29-18-13-11-17(12-14-18)26-22(28)27-15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)27/h1,5-8,10-17,19-20H,9,18H2,2-3H3;4-14,16-17H,15H2,1-3H3;2-15H,1H3,(H,26,28).

What are the key properties of N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone?

N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone has a molecular weight of 1169.40 g/mol, XLogP of 19.63, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,1-difluoroethoxy)phenyl]-3-phenylindole-1-carboxamide;2-(2-fluoro-4-methylphenyl)-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone;1-[3-(2-propan-2-ylphenyl)indol-1-yl]-2-(4-prop-2-ynylphenyl)ethanone is sourced from PubChem (CID 123274828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).