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

C15H12BrClN6 — CID 5083000

IUPACN-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline
SMILESClc1ccc(NN=CCc2nnnn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H12BrClN6/c16-11-1-7-14(8-2-11)23-15(20-21-22-23)9-10-18-19-13-5-3-12(17)4-6-13/h1-8,10,19H,9H2
InChIKeyJPVQVSWXWTYAOD-UHFFFAOYSA-N
MW391.66 g/mol
LogP3.72
Rot. Bonds5

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

N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline (PubChem CID 5083000) has the molecular formula C15H12BrClN6 and a molecular weight of 391.66 g/mol. Its IUPAC name is N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline.

Molecular Properties

Compound NameN-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline
PubChem CID5083000
Molecular FormulaC15H12BrClN6
Molecular Weight391.66 g/mol
Exact Mass390.00
IUPAC NameN-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline
SMILESClc1ccc(NN=CCc2nnnn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H12BrClN6/c16-11-1-7-14(8-2-11)23-15(20-21-22-23)9-10-18-19-13-5-3-12(17)4-6-13/h1-8,10,19H,9H2
InChIKeyJPVQVSWXWTYAOD-UHFFFAOYSA-N
XLogP3.72
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.66
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline
CID 6265548
N-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline
CID 4130935
2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline
CID 6030953
2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline
CID 2825686
N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline
CID 6004454
N-[2-[1-(4-iodophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline
CID 2825330
4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline
CID 5366938
N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline
CID 20786906
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 71779054
4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline
CID 27125700
4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 27548864

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline?
The IUPAC name of N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline (CID 5083000) is N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline.
What is the SMILES notation for N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline?
The canonical SMILES for N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline is Clc1ccc(NN=CCc2nnnn2-c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline?
The InChIKey is JPVQVSWXWTYAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN6/c16-11-1-7-14(8-2-11)23-15(20-21-22-23)9-10-18-19-13-5-3-12(17)4-6-13/h1-8,10,19H,9H2.
What are the key properties of N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline?
N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline has a molecular weight of 391.66 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline is sourced from PubChem (CID 5083000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).