2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide

C23H19F2N3O — CID 69062836

IUPAC2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide
SMILESCC(C)c1ccc(-c2ccc3c(NC(=O)c4ccc(F)cc4F)n[nH]c3c2)cc1
InChIInChI=1S/C23H19F2N3O/c1-13(2)14-3-5-15(6-4-14)16-7-9-19-21(11-16)27-28-22(19)26-23(29)18-10-8-17(24)12-20(18)25/h3-13H,1-2H3,(H2,26,27,28,29)
InChIKeyIXVZZASHGJHIDT-UHFFFAOYSA-N
MW391.42 g/mol
LogP5.88
Rot. Bonds4

About 2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide

2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide (PubChem CID 69062836) has the molecular formula C23H19F2N3O and a molecular weight of 391.42 g/mol. Its IUPAC name is 2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide
PubChem CID69062836
Molecular FormulaC23H19F2N3O
Molecular Weight391.42 g/mol
Exact Mass391.15
IUPAC Name2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide
SMILESCC(C)c1ccc(-c2ccc3c(NC(=O)c4ccc(F)cc4F)n[nH]c3c2)cc1
InChIInChI=1S/C23H19F2N3O/c1-13(2)14-3-5-15(6-4-14)16-7-9-19-21(11-16)27-28-22(19)26-23(29)18-10-8-17(24)12-20(18)25/h3-13H,1-2H3,(H2,26,27,28,29)
InChIKeyIXVZZASHGJHIDT-UHFFFAOYSA-N
XLogP5.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69064019
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69060405
2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide
CID 87678347
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
3-methyl-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]piperidine-1-carboxamide
CID 58135508
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69067364
2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide
CID 69063668
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide
CID 69065883
2,3,4,5-tetrafluoro-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 87678026
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
CID 22319587
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide (CID 69062836) is 2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide is CC(C)c1ccc(-c2ccc3c(NC(=O)c4ccc(F)cc4F)n[nH]c3c2)cc1.
What is the InChIKey of 2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide?
The InChIKey is IXVZZASHGJHIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O/c1-13(2)14-3-5-15(6-4-14)16-7-9-19-21(11-16)27-28-22(19)26-23(29)18-10-8-17(24)12-20(18)25/h3-13H,1-2H3,(H2,26,27,28,29).
What are the key properties of 2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide?
2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide has a molecular weight of 391.42 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 69062836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).