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

C29H21F2N3O2 — CID 134133199

IUPAC2-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide
SMILESO=C(Cc1cc(F)ccc1F)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C29H21F2N3O2/c30-21-10-13-26(31)20(15-21)16-29(35)32-22-7-4-8-23(17-22)36-24-11-12-25-27(33-34-28(25)18-24)14-9-19-5-2-1-3-6-19/h1-15,17-18H,16H2,(H,32,35)(H,33,34)/b14-9+
InChIKeyFAKQPOXRQJDIJT-NTEUORMPSA-N
MW481.50 g/mol
LogP6.99
Rot. Bonds7

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

2-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide (PubChem CID 134133199) has the molecular formula C29H21F2N3O2 and a molecular weight of 481.50 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide
PubChem CID134133199
Molecular FormulaC29H21F2N3O2
Molecular Weight481.50 g/mol
Exact Mass481.16
IUPAC Name2-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide
SMILESO=C(Cc1cc(F)ccc1F)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C29H21F2N3O2/c30-21-10-13-26(31)20(15-21)16-29(35)32-22-7-4-8-23(17-22)36-24-11-12-25-27(33-34-28(25)18-24)14-9-19-5-2-1-3-6-19/h1-15,17-18H,16H2,(H,32,35)(H,33,34)/b14-9+
InChIKeyFAKQPOXRQJDIJT-NTEUORMPSA-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

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

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Related Compounds

2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide
CID 134149402
6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 134135011
1-acetyl-N-[3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]piperidine-4-carboxamide
CID 22978012
N-[3-[[3-[2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 69373493
N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide
CID 91592587
2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide
CID 46886304
N-[3-[[3-[(E)-2-(1H-indazol-4-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 67552693
2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide
CID 134148392
2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide
CID 134144808
(E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide
CID 134152211
[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
CID 142037641
2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
CID 22978337

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide (CID 134133199) is 2-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide is O=C(Cc1cc(F)ccc1F)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide?
The InChIKey is FAKQPOXRQJDIJT-NTEUORMPSA-N. The full InChI is InChI=1S/C29H21F2N3O2/c30-21-10-13-26(31)20(15-21)16-29(35)32-22-7-4-8-23(17-22)36-24-11-12-25-27(33-34-28(25)18-24)14-9-19-5-2-1-3-6-19/h1-15,17-18H,16H2,(H,32,35)(H,33,34)/b14-9+.
What are the key properties of 2-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide?
2-(2,5-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-(2,5-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 134133199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).