4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide

C24H23F4N3O6 — CID 177146711

About 4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide

4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide (PubChem CID 177146711) has the molecular formula C24H23F4N3O6 and a molecular weight of 525.46 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide
• PubChem CID: 177146711
• Molecular Formula: C24H23F4N3O6
• Molecular Weight: 525.46 g/mol
• Exact Mass: 525.15
• IUPAC Name: 4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide
• SMILES: COc1cccc2[nH]c(C(=O)NCC(=O)NCC(=O)COc3c(F)c(F)c(C(C)(C)O)c(F)c3F)cc12
• InChI: InChI=1S/C24H23F4N3O6/c1-24(2,35)17-18(25)20(27)22(21(28)19(17)26)37-10-11(32)8-29-16(33)9-30-23(34)14-7-12-13(31-14)5-4-6-15(12)36-3/h4-7,31,35H,8-10H2,1-3H3,(H,29,33)(H,30,34)
• InChIKey: IAHBEEWLCGVFLK-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 129.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.46
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide?

The IUPAC name of 4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide (CID 177146711) is 4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)NCC(=O)NCC(=O)COc3c(F)c(F)c(C(C)(C)O)c(F)c3F)cc12.

What is the InChIKey of 4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide?

The InChIKey is IAHBEEWLCGVFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N3O6/c1-24(2,35)17-18(25)20(27)22(21(28)19(17)26)37-10-11(32)8-29-16(33)9-30-23(34)14-7-12-13(31-14)5-4-6-15(12)36-3/h4-7,31,35H,8-10H2,1-3H3,(H,29,33)(H,30,34).

What are the key properties of 4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide?

4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide has a molecular weight of 525.46 g/mol, XLogP of 2.45, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 177146711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).