2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide

C25H23F2N3O3 — CID 25012191

IUPAC2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
SMILESCOc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)CF)c1
InChIInChI=1S/C25H23F2N3O3/c1-16(29-24(31)14-26)25(17-4-3-5-21(12-17)32-2)33-22-10-11-23-18(13-22)15-28-30(23)20-8-6-19(27)7-9-20/h3-13,15-16,25H,14H2,1-2H3,(H,29,31)/t16-,25-/m0/s1
InChIKeyFRTZHSAXEDTLFY-LMKMVOKYSA-N
MW451.47 g/mol
LogP4.77
Rot. Bonds8

About 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide

2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide (PubChem CID 25012191) has the molecular formula C25H23F2N3O3 and a molecular weight of 451.47 g/mol. Its IUPAC name is 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
PubChem CID25012191
Molecular FormulaC25H23F2N3O3
Molecular Weight451.47 g/mol
Exact Mass451.17
IUPAC Name2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
SMILESCOc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)CF)c1
InChIInChI=1S/C25H23F2N3O3/c1-16(29-24(31)14-26)25(17-4-3-5-21(12-17)32-2)33-22-10-11-23-18(13-22)15-28-30(23)20-8-6-19(27)7-9-20/h3-13,15-16,25H,14H2,1-2H3,(H,29,31)/t16-,25-/m0/s1
InChIKeyFRTZHSAXEDTLFY-LMKMVOKYSA-N
XLogP4.77
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide (CID 25012191) is 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide is COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)CF)c1.
What is the InChIKey of 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide?
The InChIKey is FRTZHSAXEDTLFY-LMKMVOKYSA-N. The full InChI is InChI=1S/C25H23F2N3O3/c1-16(29-24(31)14-26)25(17-4-3-5-21(12-17)32-2)33-22-10-11-23-18(13-22)15-28-30(23)20-8-6-19(27)7-9-20/h3-13,15-16,25H,14H2,1-2H3,(H,29,31)/t16-,25-/m0/s1.
What are the key properties of 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide?
2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide has a molecular weight of 451.47 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 25012191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).