2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane

C27H27F4N3O2 — CID 159493329

About 2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane

2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane (PubChem CID 159493329) has the molecular formula C27H27F4N3O2 and a molecular weight of 501.52 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane
• PubChem CID: 159493329
• Molecular Formula: C27H27F4N3O2
• Molecular Weight: 501.52 g/mol
• Exact Mass: 501.20
• IUPAC Name: 2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane
• SMILES: C.Cc1ccc(F)cc1[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)[C@H](C)NC(=O)C(C)(F)F
• InChI: InChI=1S/C26H23F4N3O2.CH4/c1-15-4-5-19(28)13-22(15)24(16(2)32-25(34)26(3,29)30)35-21-10-11-23-17(12-21)14-31-33(23)20-8-6-18(27)7-9-20;/h4-14,16,24H,1-3H3,(H,32,34);1H4/t16-,24-;/m0./s1
• InChIKey: LYLVUXGASIVYMD-GRGFAMGGSA-N
• XLogP: 6.53
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.52
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane?

The IUPAC name of 2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane (CID 159493329) is 2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane.

What is the SMILES notation for 2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane?

The canonical SMILES for 2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane is C.Cc1ccc(F)cc1[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)[C@H](C)NC(=O)C(C)(F)F.

What is the InChIKey of 2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane?

The InChIKey is LYLVUXGASIVYMD-GRGFAMGGSA-N. The full InChI is InChI=1S/C26H23F4N3O2.CH4/c1-15-4-5-19(28)13-22(15)24(16(2)32-25(34)26(3,29)30)35-21-10-11-23-17(12-21)14-31-33(23)20-8-6-18(27)7-9-20;/h4-14,16,24H,1-3H3,(H,32,34);1H4/t16-,24-;/m0./s1.

What are the key properties of 2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane?

2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane has a molecular weight of 501.52 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane is sourced from PubChem (CID 159493329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).