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

C14H11Cl2N5 — CID 82779532

IUPAC2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1c(Cl)cccc1-n1nnnc1-c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H11Cl2N5/c1-8-10(15)3-2-4-13(8)21-14(18-19-20-21)9-5-6-12(17)11(16)7-9/h2-7H,17H2,1H3
InChIKeyFTPWFXWGFAUNHY-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.53
Rot. Bonds2

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

2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 82779532) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline
PubChem CID82779532
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1c(Cl)cccc1-n1nnnc1-c1ccc(N)c(Cl)c1
InChIInChI=1S/C14H11Cl2N5/c1-8-10(15)3-2-4-13(8)21-14(18-19-20-21)9-5-6-12(17)11(16)7-9/h2-7H,17H2,1H3
InChIKeyFTPWFXWGFAUNHY-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline (CID 82779532) is 2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline is Cc1c(Cl)cccc1-n1nnnc1-c1ccc(N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is FTPWFXWGFAUNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c1-8-10(15)3-2-4-13(8)21-14(18-19-20-21)9-5-6-12(17)11(16)7-9/h2-7H,17H2,1H3.
What are the key properties of 2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline?
2-chloro-4-[1-(3-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 2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 82779532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).