ethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate

C24H20FN3O3 — CID 58138876

IUPACethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FN3O3/c1-2-31-24(30)17-8-6-16(7-9-17)14-26-23(29)20-4-3-5-22-21(20)15-27-28(22)19-12-10-18(25)11-13-19/h3-13,15H,2,14H2,1H3,(H,26,29)
InChIKeyJDWVWEMOYGKIRO-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.27
Rot. Bonds6

About ethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate

ethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate (PubChem CID 58138876) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is ethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate
PubChem CID58138876
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Nameethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FN3O3/c1-2-31-24(30)17-8-6-16(7-9-17)14-26-23(29)20-4-3-5-22-21(20)15-27-28(22)19-12-10-18(25)11-13-19/h3-13,15H,2,14H2,1H3,(H,26,29)
InChIKeyJDWVWEMOYGKIRO-UHFFFAOYSA-N
XLogP4.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate?
The IUPAC name of ethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate (CID 58138876) is ethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate.
What is the SMILES notation for ethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate?
The canonical SMILES for ethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate is CCOC(=O)c1ccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)cc1.
What is the InChIKey of ethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate?
The InChIKey is JDWVWEMOYGKIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-2-31-24(30)17-8-6-16(7-9-17)14-26-23(29)20-4-3-5-22-21(20)15-27-28(22)19-12-10-18(25)11-13-19/h3-13,15H,2,14H2,1H3,(H,26,29).
What are the key properties of ethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate?
ethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate has a molecular weight of 417.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]benzoate is sourced from PubChem (CID 58138876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).