4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline

C14H11ClFN5 — CID 107370344

IUPAC4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
SMILESCc1cc(-c2nnnn2-c2cc(F)cc(Cl)c2)ccc1N
InChIInChI=1S/C14H11ClFN5/c1-8-4-9(2-3-13(8)17)14-18-19-20-21(14)12-6-10(15)5-11(16)7-12/h2-7H,17H2,1H3
InChIKeyXQRODGJAMSKAEE-UHFFFAOYSA-N
MW303.73 g/mol
LogP3.01
Rot. Bonds2

About 4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline

4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline (PubChem CID 107370344) has the molecular formula C14H11ClFN5 and a molecular weight of 303.73 g/mol. Its IUPAC name is 4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
PubChem CID107370344
Molecular FormulaC14H11ClFN5
Molecular Weight303.73 g/mol
Exact Mass303.07
IUPAC Name4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
SMILESCc1cc(-c2nnnn2-c2cc(F)cc(Cl)c2)ccc1N
InChIInChI=1S/C14H11ClFN5/c1-8-4-9(2-3-13(8)17)14-18-19-20-21(14)12-6-10(15)5-11(16)7-12/h2-7H,17H2,1H3
InChIKeyXQRODGJAMSKAEE-UHFFFAOYSA-N
XLogP3.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

5-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 107370319
4-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62682445
5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-2-fluoroaniline
CID 61353255
4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
CID 61377538
4-bromo-3-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107370345
3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107370317
5-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 61377778
4-(3-chloro-5-fluorophenyl)-2-methylaniline
CID 115504609
4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62681355
2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 82779925
4-[1-(4-bromo-3-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 62683011
4-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]-2-fluoroaniline
CID 63334862

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline?
The IUPAC name of 4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline (CID 107370344) is 4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline.
What is the SMILES notation for 4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline?
The canonical SMILES for 4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline is Cc1cc(-c2nnnn2-c2cc(F)cc(Cl)c2)ccc1N.
What is the InChIKey of 4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline?
The InChIKey is XQRODGJAMSKAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5/c1-8-4-9(2-3-13(8)17)14-18-19-20-21(14)12-6-10(15)5-11(16)7-12/h2-7H,17H2,1H3.
What are the key properties of 4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline?
4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline has a molecular weight of 303.73 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline is sourced from PubChem (CID 107370344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).