N,2,4-trichloroaniline

C6H4Cl3N — CID 134879862

IUPACN,2,4-trichloroaniline
SMILESClNc1ccc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl3N/c7-4-1-2-6(10-9)5(8)3-4/h1-3,10H
InChIKeyPXOKFKPQXPGUJY-UHFFFAOYSA-N
MW196.46 g/mol
LogP3.56
Rot. Bonds1

About N,2,4-trichloroaniline

N,2,4-trichloroaniline (PubChem CID 134879862) has the molecular formula C6H4Cl3N and a molecular weight of 196.46 g/mol. Its IUPAC name is N,2,4-trichloroaniline.

Molecular Properties

Compound NameN,2,4-trichloroaniline
PubChem CID134879862
Molecular FormulaC6H4Cl3N
Molecular Weight196.46 g/mol
Exact Mass194.94
IUPAC NameN,2,4-trichloroaniline
SMILESClNc1ccc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl3N/c7-4-1-2-6(10-9)5(8)3-4/h1-3,10H
InChIKeyPXOKFKPQXPGUJY-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,2,4-trichloroaniline 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

2,4-dichloro-N-methylaniline
CID 2800935
(2,4-dichlorophenyl)hydrazine;methane
CID 54772277
1-(2,4-dichlorophenyl)-2-methylhydrazine;ethane
CID 143596741
2,4-dichloro-1-(diazonioamino)benzene tetrafluoroborate
CID 175412501
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
1-(2,4-dichlorophenyl)-3-methylthiourea
CID 3310564
4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline
CID 70952158
N-(2,4-dichlorophenyl)ethanehydrazonoyl chloride
CID 72815031
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
methane;1,2,4-trichlorobenzene
CID 157397102
N-(2,4-dichlorophenyl)propanamide
CID 923083

Frequently Asked Questions

What is the IUPAC name of N,2,4-trichloroaniline?
The IUPAC name of N,2,4-trichloroaniline (CID 134879862) is N,2,4-trichloroaniline.
What is the SMILES notation for N,2,4-trichloroaniline?
The canonical SMILES for N,2,4-trichloroaniline is ClNc1ccc(Cl)cc1Cl.
What is the InChIKey of N,2,4-trichloroaniline?
The InChIKey is PXOKFKPQXPGUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3N/c7-4-1-2-6(10-9)5(8)3-4/h1-3,10H.
What are the key properties of N,2,4-trichloroaniline?
N,2,4-trichloroaniline has a molecular weight of 196.46 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trichloroaniline is sourced from PubChem (CID 134879862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).