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

C15H11BrClN5 — CID 5366938

IUPAC4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline
SMILESClc1ccc(-n2nnnc2/C=C\Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11BrClN5/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-
InChIKeyFCPHTIKWXPJYPZ-KTKRTIGZSA-N
MW376.65 g/mol
LogP4.16
Rot. Bonds4

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

4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline (PubChem CID 5366938) has the molecular formula C15H11BrClN5 and a molecular weight of 376.65 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline
PubChem CID5366938
Molecular FormulaC15H11BrClN5
Molecular Weight376.65 g/mol
Exact Mass374.99
IUPAC Name4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline
SMILESClc1ccc(-n2nnnc2/C=C\Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11BrClN5/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-
InChIKeyFCPHTIKWXPJYPZ-KTKRTIGZSA-N
XLogP4.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.65
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline
CID 20786906
4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline
CID 27125700
4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5378117
1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 20786923
2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile
CID 2729593
4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol
CID 135533459
N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline
CID 5369007
4-chloro-2-fluoro-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5368531
methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
CID 10043795
[2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]phenyl]-phenylmethanone
CID 2729156
[2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone
CID 10363707
N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline
CID 5083000

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline?
The IUPAC name of 4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline (CID 5366938) is 4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline.
What is the SMILES notation for 4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline?
The canonical SMILES for 4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline is Clc1ccc(-n2nnnc2/C=C\Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline?
The InChIKey is FCPHTIKWXPJYPZ-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H11BrClN5/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-chlorophenyl)tetrazol-5-yl]ethenyl]aniline?
4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline has a molecular weight of 376.65 g/mol, XLogP of 4.16, 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-chlorophenyl)tetrazol-5-yl]ethenyl]aniline is sourced from PubChem (CID 5366938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).