2,4,6-trichloro-N-(2-chlorophenyl)aniline

C12H7Cl4N — CID 101290833

IUPAC2,4,6-trichloro-N-(2-chlorophenyl)aniline
SMILESClc1cc(Cl)c(Nc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl4N/c13-7-5-9(15)12(10(16)6-7)17-11-4-2-1-3-8(11)14/h1-6,17H
InChIKeyIONUEBTXIKIJCM-UHFFFAOYSA-N
MW307.01 g/mol
LogP6.04
Rot. Bonds2

About 2,4,6-trichloro-N-(2-chlorophenyl)aniline

2,4,6-trichloro-N-(2-chlorophenyl)aniline (PubChem CID 101290833) has the molecular formula C12H7Cl4N and a molecular weight of 307.01 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(2-chlorophenyl)aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-(2-chlorophenyl)aniline
PubChem CID101290833
Molecular FormulaC12H7Cl4N
Molecular Weight307.01 g/mol
Exact Mass304.93
IUPAC Name2,4,6-trichloro-N-(2-chlorophenyl)aniline
SMILESClc1cc(Cl)c(Nc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl4N/c13-7-5-9(15)12(10(16)6-7)17-11-4-2-1-3-8(11)14/h1-6,17H
InChIKeyIONUEBTXIKIJCM-UHFFFAOYSA-N
XLogP6.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.01
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(2-chlorophenyl)aniline?
The IUPAC name of 2,4,6-trichloro-N-(2-chlorophenyl)aniline (CID 101290833) is 2,4,6-trichloro-N-(2-chlorophenyl)aniline.
What is the SMILES notation for 2,4,6-trichloro-N-(2-chlorophenyl)aniline?
The canonical SMILES for 2,4,6-trichloro-N-(2-chlorophenyl)aniline is Clc1cc(Cl)c(Nc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 2,4,6-trichloro-N-(2-chlorophenyl)aniline?
The InChIKey is IONUEBTXIKIJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4N/c13-7-5-9(15)12(10(16)6-7)17-11-4-2-1-3-8(11)14/h1-6,17H.
What are the key properties of 2,4,6-trichloro-N-(2-chlorophenyl)aniline?
2,4,6-trichloro-N-(2-chlorophenyl)aniline has a molecular weight of 307.01 g/mol, XLogP of 6.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(2-chlorophenyl)aniline is sourced from PubChem (CID 101290833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).