5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine

C12H9Cl2F2N3 — CID 103552819

IUPAC5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine
SMILESNc1cc(N)c(Nc2ccc(Cl)c(F)c2)c(F)c1Cl
InChIInChI=1S/C12H9Cl2F2N3/c13-6-2-1-5(3-7(6)15)19-12-9(18)4-8(17)10(14)11(12)16/h1-4,19H,17-18H2
InChIKeyOZXXQJBBRNWUIO-UHFFFAOYSA-N
MW304.13 g/mol
LogP4.18
Rot. Bonds2

About 5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine

5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine (PubChem CID 103552819) has the molecular formula C12H9Cl2F2N3 and a molecular weight of 304.13 g/mol. Its IUPAC name is 5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine
PubChem CID103552819
Molecular FormulaC12H9Cl2F2N3
Molecular Weight304.13 g/mol
Exact Mass303.01
IUPAC Name5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine
SMILESNc1cc(N)c(Nc2ccc(Cl)c(F)c2)c(F)c1Cl
InChIInChI=1S/C12H9Cl2F2N3/c13-6-2-1-5(3-7(6)15)19-12-9(18)4-8(17)10(14)11(12)16/h1-4,19H,17-18H2
InChIKeyOZXXQJBBRNWUIO-UHFFFAOYSA-N
XLogP4.18
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine 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

1-N-(4-chloro-3-fluorophenyl)-2,6-difluorobenzene-1,4-diamine
CID 54955427
4-(4,6-diamino-3-chloro-2-fluoroanilino)benzene-1,2-dicarbonitrile
CID 107787150
1-N-(1,3-benzothiazol-6-yl)-5-chloro-6-fluorobenzene-1,2,4-triamine
CID 107802827
5-chloro-6-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2,4-triamine
CID 103552628
4-chloro-1-N-(4-chloro-3-fluorophenyl)-5-fluorobenzene-1,2-diamine
CID 66077226
1-N-(4-chloro-3-fluorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590102
5-chloro-1-N-(2-chloro-4-methylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552626
1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine
CID 103553339
(4-chloro-3-fluorophenyl)hydrazine
CID 53413991
5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552595
2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine
CID 106889883
4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002172

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine?
The IUPAC name of 5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine (CID 103552819) is 5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine is Nc1cc(N)c(Nc2ccc(Cl)c(F)c2)c(F)c1Cl.
What is the InChIKey of 5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine?
The InChIKey is OZXXQJBBRNWUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F2N3/c13-6-2-1-5(3-7(6)15)19-12-9(18)4-8(17)10(14)11(12)16/h1-4,19H,17-18H2.
What are the key properties of 5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine?
5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine has a molecular weight of 304.13 g/mol, XLogP of 4.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-(4-chloro-3-fluorophenyl)-6-fluorobenzene-1,2,4-triamine is sourced from PubChem (CID 103552819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).