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

C15H11Br2N5 — CID 27125700

IUPAC4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline
SMILESBrc1ccc(N/C=C\c2nnnn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11Br2N5/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-
InChIKeyMESUKZQDHBLHLG-KTKRTIGZSA-N
MW421.10 g/mol
LogP4.27
Rot. Bonds4

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

4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline (PubChem CID 27125700) has the molecular formula C15H11Br2N5 and a molecular weight of 421.10 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline
PubChem CID27125700
Molecular FormulaC15H11Br2N5
Molecular Weight421.10 g/mol
Exact Mass418.94
IUPAC Name4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline
SMILESBrc1ccc(N/C=C\c2nnnn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11Br2N5/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-
InChIKeyMESUKZQDHBLHLG-KTKRTIGZSA-N
XLogP4.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.10
LogP ≤ 54.27
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-bromophenyl)tetrazol-5-yl]ethenyl]aniline?
The IUPAC name of 4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline (CID 27125700) is 4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline.
What is the SMILES notation for 4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline?
The canonical SMILES for 4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline is Brc1ccc(N/C=C\c2nnnn2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline?
The InChIKey is MESUKZQDHBLHLG-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H11Br2N5/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-bromophenyl)tetrazol-5-yl]ethenyl]aniline?
4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline has a molecular weight of 421.10 g/mol, XLogP of 4.27, 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-bromophenyl)tetrazol-5-yl]ethenyl]aniline is sourced from PubChem (CID 27125700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).