3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid

C23H17FN2O3 — CID 73296837

IUPAC3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid
SMILESCC(C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ccccc21)c1ccccc1
InChIInChI=1S/C23H17FN2O3/c1-14(15-7-3-2-4-8-15)22(27)26-20-10-6-5-9-18(20)21(25-26)17-12-11-16(23(28)29)13-19(17)24/h2-14H,1H3,(H,28,29)
InChIKeyVWAYLDITYUHKSI-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.98
Rot. Bonds4

About 3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid

3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid (PubChem CID 73296837) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is 3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid
PubChem CID73296837
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid
SMILESCC(C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ccccc21)c1ccccc1
InChIInChI=1S/C23H17FN2O3/c1-14(15-7-3-2-4-8-15)22(27)26-20-10-6-5-9-18(20)21(25-26)17-12-11-16(23(28)29)13-19(17)24/h2-14H,1H3,(H,28,29)
InChIKeyVWAYLDITYUHKSI-UHFFFAOYSA-N
XLogP4.98
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid?
The IUPAC name of 3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid (CID 73296837) is 3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid is CC(C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ccccc21)c1ccccc1.
What is the InChIKey of 3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid?
The InChIKey is VWAYLDITYUHKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c1-14(15-7-3-2-4-8-15)22(27)26-20-10-6-5-9-18(20)21(25-26)17-12-11-16(23(28)29)13-19(17)24/h2-14H,1H3,(H,28,29).
What are the key properties of 3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid?
3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid has a molecular weight of 388.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-(2-phenylpropanoyl)indazol-3-yl]benzoic acid is sourced from PubChem (CID 73296837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).