2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide

C29H21F2N3O2 — CID 134138265

IUPAC2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C29H21F2N3O2/c30-21-13-20(14-22(31)16-21)15-29(35)32-23-7-4-8-24(17-23)36-25-10-11-26-27(33-34-28(26)18-25)12-9-19-5-2-1-3-6-19/h1-14,16-18H,15H2,(H,32,35)(H,33,34)/b12-9+
InChIKeyRCJKRYBMJODFAJ-FMIVXFBMSA-N
MW481.50 g/mol
LogP6.99
Rot. Bonds7

About 2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide

2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide (PubChem CID 134138265) has the molecular formula C29H21F2N3O2 and a molecular weight of 481.50 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide
PubChem CID134138265
Molecular FormulaC29H21F2N3O2
Molecular Weight481.50 g/mol
Exact Mass481.16
IUPAC Name2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C29H21F2N3O2/c30-21-13-20(14-22(31)16-21)15-29(35)32-23-7-4-8-24(17-23)36-25-10-11-26-27(33-34-28(26)18-25)12-9-19-5-2-1-3-6-19/h1-14,16-18H,15H2,(H,32,35)(H,33,34)/b12-9+
InChIKeyRCJKRYBMJODFAJ-FMIVXFBMSA-N
XLogP6.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.50
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide (CID 134138265) is 2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide is O=C(Cc1cc(F)cc(F)c1)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide?
The InChIKey is RCJKRYBMJODFAJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C29H21F2N3O2/c30-21-13-20(14-22(31)16-21)15-29(35)32-23-7-4-8-24(17-23)36-25-10-11-26-27(33-34-28(26)18-25)12-9-19-5-2-1-3-6-19/h1-14,16-18H,15H2,(H,32,35)(H,33,34)/b12-9+.
What are the key properties of 2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide?
2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide has a molecular weight of 481.50 g/mol, XLogP of 6.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 134138265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).