N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide

C41H33F6N3O2 — CID 10122931

About N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide

N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide (PubChem CID 10122931) has the molecular formula C41H33F6N3O2 and a molecular weight of 713.72 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide.

Molecular Properties

• Compound Name: N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide
• PubChem CID: 10122931
• Molecular Formula: C41H33F6N3O2
• Molecular Weight: 713.72 g/mol
• Exact Mass: 713.25
• IUPAC Name: N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)CCN2CCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C41H33F6N3O2/c42-40(43,44)25-48-38(52)39(34-12-5-3-9-31(34)32-10-4-6-13-35(32)39)21-7-22-50-23-20-27-24-29(18-19-36(27)50)49-37(51)33-11-2-1-8-30(33)26-14-16-28(17-15-26)41(45,46)47/h1-6,8-19,24H,7,20-23,25H2,(H,48,52)(H,49,51)
• InChIKey: HUVGWHQZLVXRTH-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.72
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide?

The IUPAC name of N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide (CID 10122931) is N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide.

What is the SMILES notation for N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide?

The canonical SMILES for N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide is O=C(Nc1ccc2c(c1)CCN2CCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1.

What is the InChIKey of N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide?

The InChIKey is HUVGWHQZLVXRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33F6N3O2/c42-40(43,44)25-48-38(52)39(34-12-5-3-9-31(34)32-10-4-6-13-35(32)39)21-7-22-50-23-20-27-24-29(18-19-36(27)50)49-37(51)33-11-2-1-8-30(33)26-14-16-28(17-15-26)41(45,46)47/h1-6,8-19,24H,7,20-23,25H2,(H,48,52)(H,49,51).

What are the key properties of N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide?

N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide has a molecular weight of 713.72 g/mol, XLogP of 9.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide is sourced from PubChem (CID 10122931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).