(1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane

C40H46Cl2F4N2O4Si — CID 158865538

About (1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane

(1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane (PubChem CID 158865538) has the molecular formula C40H46Cl2F4N2O4Si and a molecular weight of 793.80 g/mol. Its IUPAC name is (1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane.

Molecular Properties

• Compound Name: (1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane
• PubChem CID: 158865538
• Molecular Formula: C40H46Cl2F4N2O4Si
• Molecular Weight: 793.80 g/mol
• Exact Mass: 792.25
• IUPAC Name: (1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane
• SMILES: C.C.CC(C)(C)[Si](C)(C)O[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21.O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CC[C@@H]2O
• InChI: InChI=1S/C22H26ClF2NO2Si.C16H12ClF2NO2.2CH4/c1-22(2,3)29(4,5)28-19-11-8-14-15(7-10-18(25)20(14)19)21(27)26-13-6-9-17(24)16(23)12-13;17-11-7-8(1-4-12(11)18)20-16(22)10-2-5-13(19)15-9(10)3-6-14(15)21;;/h6-7,9-10,12,19H,8,11H2,1-5H3,(H,26,27);1-2,4-5,7,14,21H,3,6H2,(H,20,22);2*1H4/t19-;14-;;/m00../s1
• InChIKey: JBEKSAPFHZFOQS-JNQMZGQQSA-N
• XLogP: 12.00
• TPSA: 87.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.80
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane?

The IUPAC name of (1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane (CID 158865538) is (1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane.

What is the SMILES notation for (1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane?

The canonical SMILES for (1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane is C.C.CC(C)(C)[Si](C)(C)O[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21.O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CC[C@@H]2O.

What is the InChIKey of (1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane?

The InChIKey is JBEKSAPFHZFOQS-JNQMZGQQSA-N. The full InChI is InChI=1S/C22H26ClF2NO2Si.C16H12ClF2NO2.2CH4/c1-22(2,3)29(4,5)28-19-11-8-14-15(7-10-18(25)20(14)19)21(27)26-13-6-9-17(24)16(23)12-13;17-11-7-8(1-4-12(11)18)20-16(22)10-2-5-13(19)15-9(10)3-6-14(15)21;;/h6-7,9-10,12,19H,8,11H2,1-5H3,(H,26,27);1-2,4-5,7,14,21H,3,6H2,(H,20,22);2*1H4/t19-;14-;;/m00../s1.

What are the key properties of (1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane?

(1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane has a molecular weight of 793.80 g/mol, XLogP of 12.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[tert-butyl(dimethyl)silyl]oxy-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane is sourced from PubChem (CID 158865538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).