5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one

C22H21ClF4N2O3 — CID 66657386

About 5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one

5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 66657386) has the molecular formula C22H21ClF4N2O3 and a molecular weight of 472.87 g/mol. Its IUPAC name is 5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one
• PubChem CID: 66657386
• Molecular Formula: C22H21ClF4N2O3
• Molecular Weight: 472.87 g/mol
• Exact Mass: 472.12
• IUPAC Name: 5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one
• SMILES: COc1c(F)c(Cl)cc2c1C(C)(C)CC(O)(C(F)(F)F)C2Nc1ccc2c(c1)CC(=O)N2
• InChI: InChI=1S/C22H21ClF4N2O3/c1-20(2)9-21(31,22(25,26)27)19(12-8-13(23)17(24)18(32-3)16(12)20)28-11-4-5-14-10(6-11)7-15(30)29-14/h4-6,8,19,28,31H,7,9H2,1-3H3,(H,29,30)
• InChIKey: FRJKBOZAZCRKDY-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 70.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.87
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one?

The IUPAC name of 5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one (CID 66657386) is 5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one.

What is the SMILES notation for 5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one?

The canonical SMILES for 5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one is COc1c(F)c(Cl)cc2c1C(C)(C)CC(O)(C(F)(F)F)C2Nc1ccc2c(c1)CC(=O)N2.

What is the InChIKey of 5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one?

The InChIKey is FRJKBOZAZCRKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF4N2O3/c1-20(2)9-21(31,22(25,26)27)19(12-8-13(23)17(24)18(32-3)16(12)20)28-11-4-5-14-10(6-11)7-15(30)29-14/h4-6,8,19,28,31H,7,9H2,1-3H3,(H,29,30).

What are the key properties of 5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one?

5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 472.87 g/mol, XLogP of 5.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[7-chloro-6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 66657386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).