2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline

C16H14Cl3N — CID 65470101

IUPAC2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline
SMILESClc1ccc(C2CC(Nc3c(Cl)cccc3Cl)C2)cc1
InChIInChI=1S/C16H14Cl3N/c17-12-6-4-10(5-7-12)11-8-13(9-11)20-16-14(18)2-1-3-15(16)19/h1-7,11,13,20H,8-9H2
InChIKeyYFSSOAQZBOAQJA-UHFFFAOYSA-N
MW326.65 g/mol
LogP6.00
Rot. Bonds3

About 2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline

2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline (PubChem CID 65470101) has the molecular formula C16H14Cl3N and a molecular weight of 326.65 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline
PubChem CID65470101
Molecular FormulaC16H14Cl3N
Molecular Weight326.65 g/mol
Exact Mass325.02
IUPAC Name2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline
SMILESClc1ccc(C2CC(Nc3c(Cl)cccc3Cl)C2)cc1
InChIInChI=1S/C16H14Cl3N/c17-12-6-4-10(5-7-12)11-8-13(9-11)20-16-14(18)2-1-3-15(16)19/h1-7,11,13,20H,8-9H2
InChIKeyYFSSOAQZBOAQJA-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.65
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]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 2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline?
The IUPAC name of 2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline (CID 65470101) is 2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline is Clc1ccc(C2CC(Nc3c(Cl)cccc3Cl)C2)cc1.
What is the InChIKey of 2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline?
The InChIKey is YFSSOAQZBOAQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3N/c17-12-6-4-10(5-7-12)11-8-13(9-11)20-16-14(18)2-1-3-15(16)19/h1-7,11,13,20H,8-9H2.
What are the key properties of 2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline?
2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline has a molecular weight of 326.65 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline is sourced from PubChem (CID 65470101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).