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

C15H11BrClN5 — CID 20786906

IUPACN-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline
SMILESClc1ccc(N/C=C\c2nnnn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11BrClN5/c16-11-1-7-14(8-2-11)22-15(19-20-21-22)9-10-18-13-5-3-12(17)4-6-13/h1-10,18H/b10-9-
InChIKeyYVUJHRVDCMWTIL-KTKRTIGZSA-N
MW376.65 g/mol
LogP4.16
Rot. Bonds4

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

N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline (PubChem CID 20786906) has the molecular formula C15H11BrClN5 and a molecular weight of 376.65 g/mol. Its IUPAC name is N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline.

Molecular Properties

Compound NameN-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline
PubChem CID20786906
Molecular FormulaC15H11BrClN5
Molecular Weight376.65 g/mol
Exact Mass374.99
IUPAC NameN-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline
SMILESClc1ccc(N/C=C\c2nnnn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11BrClN5/c16-11-1-7-14(8-2-11)22-15(19-20-21-22)9-10-18-13-5-3-12(17)4-6-13/h1-10,18H/b10-9-
InChIKeyYVUJHRVDCMWTIL-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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline?
The IUPAC name of N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline (CID 20786906) is N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline.
What is the SMILES notation for N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline?
The canonical SMILES for N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline is Clc1ccc(N/C=C\c2nnnn2-c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline?
The InChIKey is YVUJHRVDCMWTIL-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H11BrClN5/c16-11-1-7-14(8-2-11)22-15(19-20-21-22)9-10-18-13-5-3-12(17)4-6-13/h1-10,18H/b10-9-.
What are the key properties of N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline?
N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline 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 N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline is sourced from PubChem (CID 20786906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).