3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline

C13H8Cl2FN5 — CID 107370317

IUPAC3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline
SMILESNc1ccc(-c2nnnn2-c2cc(F)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H8Cl2FN5/c14-7-3-8(16)5-10(4-7)21-13(18-19-20-21)11-2-1-9(17)6-12(11)15/h1-6H,17H2
InChIKeyNYJIHCFVHNMXCG-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.36
Rot. Bonds2

About 3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline

3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline (PubChem CID 107370317) has the molecular formula C13H8Cl2FN5 and a molecular weight of 324.15 g/mol. Its IUPAC name is 3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline
PubChem CID107370317
Molecular FormulaC13H8Cl2FN5
Molecular Weight324.15 g/mol
Exact Mass323.01
IUPAC Name3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline
SMILESNc1ccc(-c2nnnn2-c2cc(F)cc(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H8Cl2FN5/c14-7-3-8(16)5-10(4-7)21-13(18-19-20-21)11-2-1-9(17)6-12(11)15/h1-6H,17H2
InChIKeyNYJIHCFVHNMXCG-UHFFFAOYSA-N
XLogP3.36
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107370345
3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline
CID 61378766
3-chloro-4-(1-thiophen-3-yltetrazol-5-yl)aniline
CID 66353709
4-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-3-chloroaniline
CID 107616302
5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 107370319
4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107370344
3-[1-(3-fluoro-5-methylphenyl)tetrazol-5-yl]-4-methylaniline
CID 79047538
3-chloro-4-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61351658
3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-4-fluoroaniline
CID 107616316
5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61377400
4-(1-tert-butyltetrazol-5-yl)-3-chloroaniline
CID 61351469
3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61354046

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline (CID 107370317) is 3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline is Nc1ccc(-c2nnnn2-c2cc(F)cc(Cl)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline?
The InChIKey is NYJIHCFVHNMXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN5/c14-7-3-8(16)5-10(4-7)21-13(18-19-20-21)11-2-1-9(17)6-12(11)15/h1-6H,17H2.
What are the key properties of 3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline?
3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline has a molecular weight of 324.15 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 107370317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).