N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone

C76H65F6N5O6 — CID 123864158

About N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone

N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone (PubChem CID 123864158) has the molecular formula C76H65F6N5O6 and a molecular weight of 1258.37 g/mol. Its IUPAC name is N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone.

Molecular Properties

• Compound Name: N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
• PubChem CID: 123864158
• Molecular Formula: C76H65F6N5O6
• Molecular Weight: 1258.37 g/mol
• Exact Mass: 1257.48
• IUPAC Name: N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
• SMILES: CC(C)c1ccccc1-c1cn(C(=O)Cc2ccc(C(C)(F)F)cc2)c2ccccc12.CC(F)(F)Oc1ccc(NC(=O)n2cc(-c3ccccc3C=O)c3ccccc32)cc1.CCc1ccccc1-c1cn(C(=O)Nc2ccc(OC(C)(F)F)cc2)c2ccccc12
• InChI: InChI=1S/C27H25F2NO.C25H22F2N2O2.C24H18F2N2O3/c1-18(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)27(3,28)29;1-3-17-8-4-5-9-20(17)22-16-29(23-11-7-6-10-21(22)23)24(30)28-18-12-14-19(15-13-18)31-25(2,26)27;1-24(25,26)31-18-12-10-17(11-13-18)27-23(30)28-14-21(20-8-4-5-9-22(20)28)19-7-3-2-6-16(19)15-29/h4-15,17-18H,16H2,1-3H3;4-16H,3H2,1-2H3,(H,28,30);2-15H,1H3,(H,27,30)
• InChIKey: USMPAWWVHNVURM-UHFFFAOYSA-N
• XLogP: 20.56
• TPSA: 125.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1258.37
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?

The IUPAC name of N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone (CID 123864158) is N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone.

What is the SMILES notation for N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?

The canonical SMILES for N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone is CC(C)c1ccccc1-c1cn(C(=O)Cc2ccc(C(C)(F)F)cc2)c2ccccc12.CC(F)(F)Oc1ccc(NC(=O)n2cc(-c3ccccc3C=O)c3ccccc32)cc1.CCc1ccccc1-c1cn(C(=O)Nc2ccc(OC(C)(F)F)cc2)c2ccccc12.

What is the InChIKey of N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?

The InChIKey is USMPAWWVHNVURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2NO.C25H22F2N2O2.C24H18F2N2O3/c1-18(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)27(3,28)29;1-3-17-8-4-5-9-20(17)22-16-29(23-11-7-6-10-21(22)23)24(30)28-18-12-14-19(15-13-18)31-25(2,26)27;1-24(25,26)31-18-12-10-17(11-13-18)27-23(30)28-14-21(20-8-4-5-9-22(20)28)19-7-3-2-6-16(19)15-29/h4-15,17-18H,16H2,1-3H3;4-16H,3H2,1-2H3,(H,28,30);2-15H,1H3,(H,27,30).

What are the key properties of N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone?

N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone has a molecular weight of 1258.37 g/mol, XLogP of 20.56, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-ethylphenyl)indole-1-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-3-(2-formylphenyl)indole-1-carboxamide;2-[4-(1,1-difluoroethyl)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone is sourced from PubChem (CID 123864158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).