2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline

C16H14Cl2N6 — CID 6030953

IUPAC2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline
SMILESCc1ccc(-n2nnnc2C/C=N\Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2N6/c1-11-2-5-13(6-3-11)24-16(21-22-23-24)8-9-19-20-15-7-4-12(17)10-14(15)18/h2-7,9-10,20H,8H2,1H3/b19-9-
InChIKeyAKHIBKJPUYIXKN-OCKHKDLRSA-N
MW361.24 g/mol
LogP3.92
Rot. Bonds5

About 2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline

2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline (PubChem CID 6030953) has the molecular formula C16H14Cl2N6 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline
PubChem CID6030953
Molecular FormulaC16H14Cl2N6
Molecular Weight361.24 g/mol
Exact Mass360.07
IUPAC Name2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline
SMILESCc1ccc(-n2nnnc2C/C=N\Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2N6/c1-11-2-5-13(6-3-11)24-16(21-22-23-24)8-9-19-20-15-7-4-12(17)10-14(15)18/h2-7,9-10,20H,8H2,1H3/b19-9-
InChIKeyAKHIBKJPUYIXKN-OCKHKDLRSA-N
XLogP3.92
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.92
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

2,4-dichloro-N-[2-(1-phenyltetrazol-5-yl)ethylideneamino]aniline
CID 2825686
N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline
CID 5083000
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
5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole
CID 6457710
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethanimine
CID 51516724
N-[2-[1-(4-iodophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline
CID 2825330
N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline
CID 6004454
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
4-chloro-2-fluoro-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5368531
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737014

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline?
The IUPAC name of 2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline (CID 6030953) is 2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline?
The canonical SMILES for 2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline is Cc1ccc(-n2nnnc2C/C=N\Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline?
The InChIKey is AKHIBKJPUYIXKN-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14Cl2N6/c1-11-2-5-13(6-3-11)24-16(21-22-23-24)8-9-19-20-15-7-4-12(17)10-14(15)18/h2-7,9-10,20H,8H2,1H3/b19-9-.
What are the key properties of 2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline?
2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline has a molecular weight of 361.24 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethylideneamino]aniline is sourced from PubChem (CID 6030953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).