N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide

C22H16FN3O2 — CID 69067364

IUPACN-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
SMILESCC(=O)c1cccc(-c2ccc3c(NC(=O)c4cccc(F)c4)n[nH]c3c2)c1
InChIInChI=1S/C22H16FN3O2/c1-13(27)14-4-2-5-15(10-14)16-8-9-19-20(12-16)25-26-21(19)24-22(28)17-6-3-7-18(23)11-17/h2-12H,1H3,(H2,24,25,26,28)
InChIKeyATGVTZBDTJECSM-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.82
Rot. Bonds4

About N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide

N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide (PubChem CID 69067364) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
PubChem CID69067364
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC NameN-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
SMILESCC(=O)c1cccc(-c2ccc3c(NC(=O)c4cccc(F)c4)n[nH]c3c2)c1
InChIInChI=1S/C22H16FN3O2/c1-13(27)14-4-2-5-15(10-14)16-8-9-19-20(12-16)25-26-21(19)24-22(28)17-6-3-7-18(23)11-17/h2-12H,1H3,(H2,24,25,26,28)
InChIKeyATGVTZBDTJECSM-UHFFFAOYSA-N
XLogP4.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide
CID 69061980
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69060568
N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69064975
2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide
CID 69063668
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide
CID 69059504
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69061525
2-cyclopentyl-N-[6-(3-fluorophenyl)-1H-indazol-3-yl]acetamide
CID 69060880
3-(2-amino-1-chloro-2-oxoethyl)-N-[6-(2-fluoro-5-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 175103815
2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide
CID 87678347
2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide
CID 69062836

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide (CID 69067364) is N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide is CC(=O)c1cccc(-c2ccc3c(NC(=O)c4cccc(F)c4)n[nH]c3c2)c1.
What is the InChIKey of N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide?
The InChIKey is ATGVTZBDTJECSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c1-13(27)14-4-2-5-15(10-14)16-8-9-19-20(12-16)25-26-21(19)24-22(28)17-6-3-7-18(23)11-17/h2-12H,1H3,(H2,24,25,26,28).
What are the key properties of N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide?
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide has a molecular weight of 373.39 g/mol, XLogP of 4.82, 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]-3-fluorobenzamide is sourced from PubChem (CID 69067364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).