2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid

C16H12FN5O2 — CID 2729160

IUPAC2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid
SMILESO=C(O)c1ccccc1NC=Cc1nnnn1-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)
InChIKeyGXUBOSUVGZMXGC-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.58
Rot. Bonds5

About 2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid

2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid (PubChem CID 2729160) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is 2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid.

Molecular Properties

Compound Name2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid
PubChem CID2729160
Molecular FormulaC16H12FN5O2
Molecular Weight325.30 g/mol
Exact Mass325.10
IUPAC Name2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid
SMILESO=C(O)c1ccccc1NC=Cc1nnnn1-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)
InChIKeyGXUBOSUVGZMXGC-UHFFFAOYSA-N
XLogP2.58
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid?
The IUPAC name of 2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid (CID 2729160) is 2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid.
What is the SMILES notation for 2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid?
The canonical SMILES for 2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid is O=C(O)c1ccccc1NC=Cc1nnnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid?
The InChIKey is GXUBOSUVGZMXGC-UHFFFAOYSA-N. 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).
What are the key properties of 2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid?
2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid has a molecular weight of 325.30 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenylamino]benzoic acid is sourced from PubChem (CID 2729160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).