N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline

C15H11BrCl2N6 — CID 6265548

IUPACN-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline
SMILESClc1ccc(N/N=C\Cc2nnnn2-c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H11BrCl2N6/c16-10-1-4-12(5-2-10)24-15(21-22-23-24)7-8-19-20-11-3-6-13(17)14(18)9-11/h1-6,8-9,20H,7H2/b19-8-
InChIKeyLZVASTGQHDWDFG-UWVJOHFNSA-N
MW426.11 g/mol
LogP4.37
Rot. Bonds5

About N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline

N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline (PubChem CID 6265548) has the molecular formula C15H11BrCl2N6 and a molecular weight of 426.11 g/mol. Its IUPAC name is N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline.

Molecular Properties

Compound NameN-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline
PubChem CID6265548
Molecular FormulaC15H11BrCl2N6
Molecular Weight426.11 g/mol
Exact Mass423.96
IUPAC NameN-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline
SMILESClc1ccc(N/N=C\Cc2nnnn2-c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H11BrCl2N6/c16-10-1-4-12(5-2-10)24-15(21-22-23-24)7-8-19-20-11-3-6-13(17)14(18)9-11/h1-6,8-9,20H,7H2/b19-8-
InChIKeyLZVASTGQHDWDFG-UWVJOHFNSA-N
XLogP4.37
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.11
LogP ≤ 54.37
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline?
The IUPAC name of N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline (CID 6265548) is N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline.
What is the SMILES notation for N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline?
The canonical SMILES for N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline is Clc1ccc(N/N=C\Cc2nnnn2-c2ccc(Br)cc2)cc1Cl.
What is the InChIKey of N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline?
The InChIKey is LZVASTGQHDWDFG-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H11BrCl2N6/c16-10-1-4-12(5-2-10)24-15(21-22-23-24)7-8-19-20-11-3-6-13(17)14(18)9-11/h1-6,8-9,20H,7H2/b19-8-.
What are the key properties of N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline?
N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline has a molecular weight of 426.11 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-3,4-dichloroaniline is sourced from PubChem (CID 6265548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).