4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid

C22H16FN3O3 — CID 22480236

IUPAC4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid
SMILESCN(C(=O)c1ccc(C(=O)O)cc1)c1ccc2[nH]nc(-c3ccccc3F)c2c1
InChIInChI=1S/C22H16FN3O3/c1-26(21(27)13-6-8-14(9-7-13)22(28)29)15-10-11-19-17(12-15)20(25-24-19)16-4-2-3-5-18(16)23/h2-12H,1H3,(H,24,25)(H,28,29)
InChIKeyMTJCLMWSSCAVPC-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.34
Rot. Bonds4

About 4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid

4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid (PubChem CID 22480236) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid
PubChem CID22480236
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC Name4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid
SMILESCN(C(=O)c1ccc(C(=O)O)cc1)c1ccc2[nH]nc(-c3ccccc3F)c2c1
InChIInChI=1S/C22H16FN3O3/c1-26(21(27)13-6-8-14(9-7-13)22(28)29)15-10-11-19-17(12-15)20(25-24-19)16-4-2-3-5-18(16)23/h2-12H,1H3,(H,24,25)(H,28,29)
InChIKeyMTJCLMWSSCAVPC-UHFFFAOYSA-N
XLogP4.34
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid?
The IUPAC name of 4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid (CID 22480236) is 4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid.
What is the SMILES notation for 4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid?
The canonical SMILES for 4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid is CN(C(=O)c1ccc(C(=O)O)cc1)c1ccc2[nH]nc(-c3ccccc3F)c2c1.
What is the InChIKey of 4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid?
The InChIKey is MTJCLMWSSCAVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c1-26(21(27)13-6-8-14(9-7-13)22(28)29)15-10-11-19-17(12-15)20(25-24-19)16-4-2-3-5-18(16)23/h2-12H,1H3,(H,24,25)(H,28,29).
What are the key properties of 4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid?
4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid has a molecular weight of 389.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-fluorophenyl)-1H-indazol-5-yl]-methylcarbamoyl]benzoic acid is sourced from PubChem (CID 22480236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).