N-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline

C15H11Cl2FN6 — CID 4130935

IUPACN-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline
SMILESFc1ccc(NN=CCc2nnnn2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H11Cl2FN6/c16-13-6-5-12(9-14(13)17)24-15(21-22-23-24)7-8-19-20-11-3-1-10(18)2-4-11/h1-6,8-9,20H,7H2
InChIKeyJDSHCSGBPRWRTB-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.75
Rot. Bonds5

About N-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline

N-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline (PubChem CID 4130935) has the molecular formula C15H11Cl2FN6 and a molecular weight of 365.20 g/mol. Its IUPAC name is N-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline.

Molecular Properties

Compound NameN-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline
PubChem CID4130935
Molecular FormulaC15H11Cl2FN6
Molecular Weight365.20 g/mol
Exact Mass364.04
IUPAC NameN-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline
SMILESFc1ccc(NN=CCc2nnnn2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H11Cl2FN6/c16-13-6-5-12(9-14(13)17)24-15(21-22-23-24)7-8-19-20-11-3-1-10(18)2-4-11/h1-6,8-9,20H,7H2
InChIKeyJDSHCSGBPRWRTB-UHFFFAOYSA-N
XLogP3.75
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.75
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-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline
CID 6004454
N-[2-[1-(4-bromophenyl)tetrazol-5-yl]ethylideneamino]-4-chloroaniline
CID 5083000
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-[2-[1-(4-iodophenyl)tetrazol-5-yl]ethylideneamino]-4-nitroaniline
CID 2825330
5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799284
5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole
CID 19798559
4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 27548864
1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole
CID 43134726
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 18565796
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62736275

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline?
The IUPAC name of N-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline (CID 4130935) is N-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline.
What is the SMILES notation for N-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline?
The canonical SMILES for N-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline is Fc1ccc(NN=CCc2nnnn2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline?
The InChIKey is JDSHCSGBPRWRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN6/c16-13-6-5-12(9-14(13)17)24-15(21-22-23-24)7-8-19-20-11-3-1-10(18)2-4-11/h1-6,8-9,20H,7H2.
What are the key properties of N-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline?
N-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline has a molecular weight of 365.20 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethylideneamino]-4-fluoroaniline is sourced from PubChem (CID 4130935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).