2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide

C24H21F2N3O2 — CID 66812455

IUPAC2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
SMILESC[C@H](NC(=O)CF)[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C24H21F2N3O2/c1-16(28-23(30)14-25)24(17-5-3-2-4-6-17)31-21-11-12-22-18(13-21)15-27-29(22)20-9-7-19(26)8-10-20/h2-13,15-16,24H,14H2,1H3,(H,28,30)/t16-,24+/m0/s1
InChIKeyHEWAQKFSHRIOJF-UPCLLVRISA-N
MW421.45 g/mol
LogP4.76
Rot. Bonds7

About 2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide

2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide (PubChem CID 66812455) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
PubChem CID66812455
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
SMILESC[C@H](NC(=O)CF)[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C24H21F2N3O2/c1-16(28-23(30)14-25)24(17-5-3-2-4-6-17)31-21-11-12-22-18(13-21)15-27-29(22)20-9-7-19(26)8-10-20/h2-13,15-16,24H,14H2,1H3,(H,28,30)/t16-,24+/m0/s1
InChIKeyHEWAQKFSHRIOJF-UPCLLVRISA-N
XLogP4.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide (CID 66812455) is 2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide is C[C@H](NC(=O)CF)[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of 2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide?
The InChIKey is HEWAQKFSHRIOJF-UPCLLVRISA-N. The full InChI is InChI=1S/C24H21F2N3O2/c1-16(28-23(30)14-25)24(17-5-3-2-4-6-17)31-21-11-12-22-18(13-21)15-27-29(22)20-9-7-19(26)8-10-20/h2-13,15-16,24H,14H2,1H3,(H,28,30)/t16-,24+/m0/s1.
What are the key properties of 2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide?
2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide has a molecular weight of 421.45 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 66812455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).