N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide

C24H20ClF2N3O2 — CID 59339677

About N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide

N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide (PubChem CID 59339677) has the molecular formula C24H20ClF2N3O2 and a molecular weight of 455.89 g/mol. Its IUPAC name is N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide
• PubChem CID: 59339677
• Molecular Formula: C24H20ClF2N3O2
• Molecular Weight: 455.89 g/mol
• Exact Mass: 455.12
• IUPAC Name: N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide
• SMILES: CC(=O)N[C@@H](C)[C@H](Oc1cc2cnn(-c3ccc(F)cc3)c2cc1Cl)c1ccc(F)cc1
• InChI: InChI=1S/C24H20ClF2N3O2/c1-14(29-15(2)31)24(16-3-5-18(26)6-4-16)32-23-11-17-13-28-30(22(17)12-21(23)25)20-9-7-19(27)8-10-20/h3-14,24H,1-2H3,(H,29,31)/t14-,24-/m0/s1
• InChIKey: GFUDASHTTZXDNQ-BSEYFRJRSA-N
• XLogP: 5.60
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.89
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide?

The IUPAC name of N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide (CID 59339677) is N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide.

What is the SMILES notation for N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide?

The canonical SMILES for N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide is CC(=O)N[C@@H](C)[C@H](Oc1cc2cnn(-c3ccc(F)cc3)c2cc1Cl)c1ccc(F)cc1.

What is the InChIKey of N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide?

The InChIKey is GFUDASHTTZXDNQ-BSEYFRJRSA-N. The full InChI is InChI=1S/C24H20ClF2N3O2/c1-14(29-15(2)31)24(16-3-5-18(26)6-4-16)32-23-11-17-13-28-30(22(17)12-21(23)25)20-9-7-19(27)8-10-20/h3-14,24H,1-2H3,(H,29,31)/t14-,24-/m0/s1.

What are the key properties of N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide?

N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide has a molecular weight of 455.89 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-1-[6-chloro-1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-fluorophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 59339677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).