3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid

C22H16FN3O3 — CID 58138764

IUPAC3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C22H16FN3O3/c23-16-7-9-17(10-8-16)26-20-6-2-5-18(19(20)13-25-26)21(27)24-12-14-3-1-4-15(11-14)22(28)29/h1-11,13H,12H2,(H,24,27)(H,28,29)
InChIKeyZTDCAPNFUVWNGH-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.79
Rot. Bonds5

About 3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid

3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid (PubChem CID 58138764) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is 3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid
PubChem CID58138764
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC Name3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C22H16FN3O3/c23-16-7-9-17(10-8-16)26-20-6-2-5-18(19(20)13-25-26)21(27)24-12-14-3-1-4-15(11-14)22(28)29/h1-11,13H,12H2,(H,24,27)(H,28,29)
InChIKeyZTDCAPNFUVWNGH-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 3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid (CID 58138764) is 3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid is O=C(O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid?
The InChIKey is ZTDCAPNFUVWNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c23-16-7-9-17(10-8-16)26-20-6-2-5-18(19(20)13-25-26)21(27)24-12-14-3-1-4-15(11-14)22(28)29/h1-11,13H,12H2,(H,24,27)(H,28,29).
What are the key properties of 3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid?
3-[[[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 3-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 58138764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).