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

C41H31F6N3O3 — CID 10233975

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

9-[3-[2-oxo-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-indol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (PubChem CID 10233975) has the molecular formula C41H31F6N3O3 and a molecular weight of 727.71 g/mol. Its IUPAC name is 9-[3-[2-oxo-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-indol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

Molecular Properties

• Compound Name: 9-[3-[2-oxo-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-indol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
• PubChem CID: 10233975
• Molecular Formula: C41H31F6N3O3
• Molecular Weight: 727.71 g/mol
• Exact Mass: 727.23
• IUPAC Name: 9-[3-[2-oxo-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-indol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)CC(=O)N2CCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C41H31F6N3O3/c42-40(43,44)24-48-38(53)39(33-12-5-3-9-30(33)31-10-4-6-13-34(31)39)20-7-21-50-35-19-18-28(22-26(35)23-36(50)51)49-37(52)32-11-2-1-8-29(32)25-14-16-27(17-15-25)41(45,46)47/h1-6,8-19,22H,7,20-21,23-24H2,(H,48,53)(H,49,52)
• InChIKey: KRVANUIARMYBEF-UHFFFAOYSA-N
• XLogP: 8.94
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.71
LogP ≤ 5	8.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 9-[3-[2-oxo-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-indol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (CID 10233975) is 9-[3-[2-oxo-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-indol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

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

The canonical SMILES for 9-[3-[2-oxo-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-indol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is O=C(Nc1ccc2c(c1)CC(=O)N2CCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1.

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

The InChIKey is KRVANUIARMYBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31F6N3O3/c42-40(43,44)24-48-38(53)39(33-12-5-3-9-30(33)31-10-4-6-13-34(31)39)20-7-21-50-35-19-18-28(22-26(35)23-36(50)51)49-37(52)32-11-2-1-8-29(32)25-14-16-27(17-15-25)41(45,46)47/h1-6,8-19,22H,7,20-21,23-24H2,(H,48,53)(H,49,52).

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

9-[3-[2-oxo-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-indol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide has a molecular weight of 727.71 g/mol, XLogP of 8.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[2-oxo-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-indol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is sourced from PubChem (CID 10233975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).