4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine

C13H9Cl2F3N2 — CID 63667774

IUPAC4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H9Cl2F3N2/c14-8-2-4-12(10(19)6-8)20-11-3-1-7(5-9(11)15)13(16,17)18/h1-6,20H,19H2
InChIKeyAHVODYYKJJQUHW-UHFFFAOYSA-N
MW321.13 g/mol
LogP5.34
Rot. Bonds2

About 4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine

4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine (PubChem CID 63667774) has the molecular formula C13H9Cl2F3N2 and a molecular weight of 321.13 g/mol. Its IUPAC name is 4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine
PubChem CID63667774
Molecular FormulaC13H9Cl2F3N2
Molecular Weight321.13 g/mol
Exact Mass320.01
IUPAC Name4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H9Cl2F3N2/c14-8-2-4-12(10(19)6-8)20-11-3-1-7(5-9(11)15)13(16,17)18/h1-6,20H,19H2
InChIKeyAHVODYYKJJQUHW-UHFFFAOYSA-N
XLogP5.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.13
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-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-chloro-1-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29067093
1-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590407
1-N-(3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067186
1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067483
1-N-(2-chloro-5-fluorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 107526797
4-chloro-2-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115468541
4-chloro-2-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 115469106
4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80817280
4-N-[2-chloro-4-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80834320
1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067499
1-N-(4-bromo-3-chlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 107618576
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-fluoropyridin-2-amine
CID 79727796

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine (CID 63667774) is 4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine is Nc1cc(Cl)ccc1Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine?
The InChIKey is AHVODYYKJJQUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2/c14-8-2-4-12(10(19)6-8)20-11-3-1-7(5-9(11)15)13(16,17)18/h1-6,20H,19H2.
What are the key properties of 4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine?
4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine has a molecular weight of 321.13 g/mol, XLogP of 5.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 63667774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).