2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline

C19H14FN5 — CID 73052845

IUPAC2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline
SMILESNc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C19H14FN5/c20-16-10-4-6-12-18(16)25-19(22-23-24-25)15-9-2-1-7-13(15)14-8-3-5-11-17(14)21/h1-12H,21H2
InChIKeyXREZZHNTQGKNIR-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.72
Rot. Bonds3

About 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline

2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline (PubChem CID 73052845) has the molecular formula C19H14FN5 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline.

Molecular Properties

Compound Name2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline
PubChem CID73052845
Molecular FormulaC19H14FN5
Molecular Weight331.35 g/mol
Exact Mass331.12
IUPAC Name2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline
SMILESNc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C19H14FN5/c20-16-10-4-6-12-18(16)25-19(22-23-24-25)15-9-2-1-7-13(15)14-8-3-5-11-17(14)21/h1-12H,21H2
InChIKeyXREZZHNTQGKNIR-UHFFFAOYSA-N
XLogP3.72
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline?
The IUPAC name of 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline (CID 73052845) is 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline.
What is the SMILES notation for 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline?
The canonical SMILES for 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline is Nc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F.
What is the InChIKey of 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline?
The InChIKey is XREZZHNTQGKNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5/c20-16-10-4-6-12-18(16)25-19(22-23-24-25)15-9-2-1-7-13(15)14-8-3-5-11-17(14)21/h1-12H,21H2.
What are the key properties of 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline?
2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline has a molecular weight of 331.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-fluorophenyl)tetrazol-5-yl]phenyl]aniline is sourced from PubChem (CID 73052845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).