2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine

C13H11ClF2N2 — CID 62222059

IUPAC2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine
SMILESNc1ccc(NCc2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C13H11ClF2N2/c14-11-6-10(17)3-4-13(11)18-7-8-1-2-9(15)5-12(8)16/h1-6,18H,7,17H2
InChIKeyUYJMRIUKJVSZOX-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.81
Rot. Bonds3

About 2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine

2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine (PubChem CID 62222059) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine
PubChem CID62222059
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC Name2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine
SMILESNc1ccc(NCc2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C13H11ClF2N2/c14-11-6-10(17)3-4-13(11)18-7-8-1-2-9(15)5-12(8)16/h1-6,18H,7,17H2
InChIKeyUYJMRIUKJVSZOX-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-N-[(2,4-difluorophenyl)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

Related Compounds

4-bromo-1-N-[(2,4-difluorophenyl)methyl]benzene-1,2-diamine
CID 62227743
2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
CID 28878906
3,5-dichloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107572844
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951
N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
CID 43242981
4-chloro-3-[(2,4-difluorophenyl)methylamino]benzenesulfonamide
CID 43745797
N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55118690
N-[(2-bromo-4-fluorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 63491887
5-chloro-1-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzene-1,2,4-triamine
CID 103553011
2-[(2-chloro-4-fluoroanilino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77028971
3-chloro-4-[(2,5-difluorophenyl)methylamino]benzenecarbothioamide
CID 63792781
N-[(5-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 114076415

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine (CID 62222059) is 2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine is Nc1ccc(NCc2ccc(F)cc2F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine?
The InChIKey is UYJMRIUKJVSZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c14-11-6-10(17)3-4-13(11)18-7-8-1-2-9(15)5-12(8)16/h1-6,18H,7,17H2.
What are the key properties of 2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine?
2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine has a molecular weight of 268.69 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 62222059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).