4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline

C15H11BrFN5 — CID 5379436

IUPAC4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline
SMILESFc1ccc(-n2nnnc2/C=C\Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11BrFN5/c16-11-1-5-13(6-2-11)18-10-9-15-19-20-21-22(15)14-7-3-12(17)4-8-14/h1-10,18H/b10-9-
InChIKeyFJFBATRFEXOESD-KTKRTIGZSA-N
MW360.19 g/mol
LogP3.65
Rot. Bonds4

About 4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline

4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline (PubChem CID 5379436) has the molecular formula C15H11BrFN5 and a molecular weight of 360.19 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline
PubChem CID5379436
Molecular FormulaC15H11BrFN5
Molecular Weight360.19 g/mol
Exact Mass359.02
IUPAC Name4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline
SMILESFc1ccc(-n2nnnc2/C=C\Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11BrFN5/c16-11-1-5-13(6-2-11)18-10-9-15-19-20-21-22(15)14-7-3-12(17)4-8-14/h1-10,18H/b10-9-
InChIKeyFJFBATRFEXOESD-KTKRTIGZSA-N
XLogP3.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline?
The IUPAC name of 4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline (CID 5379436) is 4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline.
What is the SMILES notation for 4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline?
The canonical SMILES for 4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline is Fc1ccc(-n2nnnc2/C=C\Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline?
The InChIKey is FJFBATRFEXOESD-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H11BrFN5/c16-11-1-5-13(6-2-11)18-10-9-15-19-20-21-22(15)14-7-3-12(17)4-8-14/h1-10,18H/b10-9-.
What are the key properties of 4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline?
4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline has a molecular weight of 360.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]aniline is sourced from PubChem (CID 5379436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).