4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline

C14H11Cl2N5 — CID 61352885

IUPAC4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1cc(Cl)ccc1-n1nnnc1-c1cc(N)ccc1Cl
InChIInChI=1S/C14H11Cl2N5/c1-8-6-9(15)2-5-13(8)21-14(18-19-20-21)11-7-10(17)3-4-12(11)16/h2-7H,17H2,1H3
InChIKeyBVYPKZTVIATJHA-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.53
Rot. Bonds2

About 4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline

4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 61352885) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
PubChem CID61352885
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1cc(Cl)ccc1-n1nnnc1-c1cc(N)ccc1Cl
InChIInChI=1S/C14H11Cl2N5/c1-8-6-9(15)2-5-13(8)21-14(18-19-20-21)11-7-10(17)3-4-12(11)16/h2-7H,17H2,1H3
InChIKeyBVYPKZTVIATJHA-UHFFFAOYSA-N
XLogP3.53
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline (CID 61352885) is 4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline is Cc1cc(Cl)ccc1-n1nnnc1-c1cc(N)ccc1Cl.
What is the InChIKey of 4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is BVYPKZTVIATJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c1-8-6-9(15)2-5-13(8)21-14(18-19-20-21)11-7-10(17)3-4-12(11)16/h2-7H,17H2,1H3.
What are the key properties of 4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline?
4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline has a molecular weight of 320.18 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61352885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).