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

C22H16FN3O3 — CID 22480049

IUPAC4-[[1-(2-fluorophenyl)indazol-5-yl]-methylcarbamoyl]benzoic acid
SMILESCN(C(=O)c1ccc(C(=O)O)cc1)c1ccc2c(cnn2-c2ccccc2F)c1
InChIInChI=1S/C22H16FN3O3/c1-25(21(27)14-6-8-15(9-7-14)22(28)29)17-10-11-19-16(12-17)13-24-26(19)20-5-3-2-4-18(20)23/h2-13H,1H3,(H,28,29)
InChIKeyPLOMIGHIKPSMKL-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.14
Rot. Bonds4

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

4-[[1-(2-fluorophenyl)indazol-5-yl]-methylcarbamoyl]benzoic acid (PubChem CID 22480049) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-[[1-(2-fluorophenyl)indazol-5-yl]-methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[1-(2-fluorophenyl)indazol-5-yl]-methylcarbamoyl]benzoic acid
PubChem CID22480049
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC Name4-[[1-(2-fluorophenyl)indazol-5-yl]-methylcarbamoyl]benzoic acid
SMILESCN(C(=O)c1ccc(C(=O)O)cc1)c1ccc2c(cnn2-c2ccccc2F)c1
InChIInChI=1S/C22H16FN3O3/c1-25(21(27)14-6-8-15(9-7-14)22(28)29)17-10-11-19-16(12-17)13-24-26(19)20-5-3-2-4-18(20)23/h2-13H,1H3,(H,28,29)
InChIKeyPLOMIGHIKPSMKL-UHFFFAOYSA-N
XLogP4.14
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-fluorophenyl)indazol-5-yl]-methylcarbamoyl]benzoic acid?
The IUPAC name of 4-[[1-(2-fluorophenyl)indazol-5-yl]-methylcarbamoyl]benzoic acid (CID 22480049) is 4-[[1-(2-fluorophenyl)indazol-5-yl]-methylcarbamoyl]benzoic acid.
What is the SMILES notation for 4-[[1-(2-fluorophenyl)indazol-5-yl]-methylcarbamoyl]benzoic acid?
The canonical SMILES for 4-[[1-(2-fluorophenyl)indazol-5-yl]-methylcarbamoyl]benzoic acid is CN(C(=O)c1ccc(C(=O)O)cc1)c1ccc2c(cnn2-c2ccccc2F)c1.
What is the InChIKey of 4-[[1-(2-fluorophenyl)indazol-5-yl]-methylcarbamoyl]benzoic acid?
The InChIKey is PLOMIGHIKPSMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c1-25(21(27)14-6-8-15(9-7-14)22(28)29)17-10-11-19-16(12-17)13-24-26(19)20-5-3-2-4-18(20)23/h2-13H,1H3,(H,28,29).
What are the key properties of 4-[[1-(2-fluorophenyl)indazol-5-yl]-methylcarbamoyl]benzoic acid?
4-[[1-(2-fluorophenyl)indazol-5-yl]-methylcarbamoyl]benzoic acid has a molecular weight of 389.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-fluorophenyl)indazol-5-yl]-methylcarbamoyl]benzoic acid is sourced from PubChem (CID 22480049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).