N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide

C22H15F2N3O2 — CID 69061980

IUPACN-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide
SMILESCC(=O)c1cccc(-c2ccc3c(NC(=O)c4c(F)cccc4F)n[nH]c3c2)c1
InChIInChI=1S/C22H15F2N3O2/c1-12(28)13-4-2-5-14(10-13)15-8-9-16-19(11-15)26-27-21(16)25-22(29)20-17(23)6-3-7-18(20)24/h2-11H,1H3,(H2,25,26,27,29)
InChIKeyKTJDJHFARXEFNP-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.96
Rot. Bonds4

About N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide

N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide (PubChem CID 69061980) has the molecular formula C22H15F2N3O2 and a molecular weight of 391.38 g/mol. Its IUPAC name is N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide
PubChem CID69061980
Molecular FormulaC22H15F2N3O2
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC NameN-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide
SMILESCC(=O)c1cccc(-c2ccc3c(NC(=O)c4c(F)cccc4F)n[nH]c3c2)c1
InChIInChI=1S/C22H15F2N3O2/c1-12(28)13-4-2-5-14(10-13)15-8-9-16-19(11-15)26-27-21(16)25-22(29)20-17(23)6-3-7-18(20)24/h2-11H,1H3,(H2,25,26,27,29)
InChIKeyKTJDJHFARXEFNP-UHFFFAOYSA-N
XLogP4.96
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide (CID 69061980) is N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide is CC(=O)c1cccc(-c2ccc3c(NC(=O)c4c(F)cccc4F)n[nH]c3c2)c1.
What is the InChIKey of N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide?
The InChIKey is KTJDJHFARXEFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O2/c1-12(28)13-4-2-5-14(10-13)15-8-9-16-19(11-15)26-27-21(16)25-22(29)20-17(23)6-3-7-18(20)24/h2-11H,1H3,(H2,25,26,27,29).
What are the key properties of N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide?
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide has a molecular weight of 391.38 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 69061980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).