4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid

C22H16FN3O3 — CID 58138899

IUPAC4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16FN3O3/c23-16-8-10-17(11-9-16)26-20-3-1-2-18(19(20)13-25-26)21(27)24-12-14-4-6-15(7-5-14)22(28)29/h1-11,13H,12H2,(H,24,27)(H,28,29)
InChIKeyVKYHPVNXOSQAFA-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.79
Rot. Bonds5

About 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid

4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid (PubChem CID 58138899) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid
PubChem CID58138899
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC Name4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16FN3O3/c23-16-8-10-17(11-9-16)26-20-3-1-2-18(19(20)13-25-26)21(27)24-12-14-4-6-15(7-5-14)22(28)29/h1-11,13H,12H2,(H,24,27)(H,28,29)
InChIKeyVKYHPVNXOSQAFA-UHFFFAOYSA-N
XLogP3.79
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid (CID 58138899) is 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid?
The InChIKey is VKYHPVNXOSQAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c23-16-8-10-17(11-9-16)26-20-3-1-2-18(19(20)13-25-26)21(27)24-12-14-4-6-15(7-5-14)22(28)29/h1-11,13H,12H2,(H,24,27)(H,28,29).
What are the key properties of 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid?
4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid has a molecular weight of 389.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 58138899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).