2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine

C13H11Cl2FN2 — CID 13059681

IUPAC2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine
SMILESNc1c(Cl)cc(NCc2cccc(F)c2)cc1Cl
InChIInChI=1S/C13H11Cl2FN2/c14-11-5-10(6-12(15)13(11)17)18-7-8-2-1-3-9(16)4-8/h1-6,18H,7,17H2
InChIKeyUVQHAKZVKDSJOK-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.33
Rot. Bonds3

About 2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine

2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine (PubChem CID 13059681) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine
PubChem CID13059681
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine
SMILESNc1c(Cl)cc(NCc2cccc(F)c2)cc1Cl
InChIInChI=1S/C13H11Cl2FN2/c14-11-5-10(6-12(15)13(11)17)18-7-8-2-1-3-9(16)4-8/h1-6,18H,7,17H2
InChIKeyUVQHAKZVKDSJOK-UHFFFAOYSA-N
XLogP4.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine 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-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine (CID 13059681) is 2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine is Nc1c(Cl)cc(NCc2cccc(F)c2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine?
The InChIKey is UVQHAKZVKDSJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c14-11-5-10(6-12(15)13(11)17)18-7-8-2-1-3-9(16)4-8/h1-6,18H,7,17H2.
What are the key properties of 2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine?
2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine has a molecular weight of 285.15 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-N-[(3-fluorophenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 13059681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).