2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate

C16H11FN5O2- — CID 7195875

IUPAC2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
SMILESO=C([O-])c1ccccc1N/C=C/c1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C16H12FN5O2/c17-11-5-7-12(8-6-11)22-15(19-20-21-22)9-10-18-14-4-2-1-3-13(14)16(23)24/h1-10,18H,(H,23,24)/p-1/b10-9+
InChIKeyGXUBOSUVGZMXGC-MDZDMXLPSA-M
MW324.30 g/mol
LogP1.25
Rot. Bonds5

About 2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate

2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate (PubChem CID 7195875) has the molecular formula C16H11FN5O2- and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate.

Molecular Properties

Compound Name2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
PubChem CID7195875
Molecular FormulaC16H11FN5O2-
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC Name2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
SMILESO=C([O-])c1ccccc1N/C=C/c1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C16H12FN5O2/c17-11-5-7-12(8-6-11)22-15(19-20-21-22)9-10-18-14-4-2-1-3-13(14)16(23)24/h1-10,18H,(H,23,24)/p-1/b10-9+
InChIKeyGXUBOSUVGZMXGC-MDZDMXLPSA-M
XLogP1.25
TPSA95.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate?
The IUPAC name of 2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate (CID 7195875) is 2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate.
What is the SMILES notation for 2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate?
The canonical SMILES for 2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate is O=C([O-])c1ccccc1N/C=C/c1nnnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate?
The InChIKey is GXUBOSUVGZMXGC-MDZDMXLPSA-M. The full InChI is InChI=1S/C16H12FN5O2/c17-11-5-7-12(8-6-11)22-15(19-20-21-22)9-10-18-14-4-2-1-3-13(14)16(23)24/h1-10,18H,(H,23,24)/p-1/b10-9+.
What are the key properties of 2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate?
2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate has a molecular weight of 324.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate is sourced from PubChem (CID 7195875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).