2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine

C12H7Cl5N2 — CID 106889857

IUPAC2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(Nc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl5N2/c13-6-3-8(15)11(4-7(6)14)19-12-9(16)1-5(18)2-10(12)17/h1-4,19H,18H2
InChIKeyDGXFUORDIHVYPT-UHFFFAOYSA-N
MW356.47 g/mol
LogP6.28
Rot. Bonds2

About 2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine

2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine (PubChem CID 106889857) has the molecular formula C12H7Cl5N2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine
PubChem CID106889857
Molecular FormulaC12H7Cl5N2
Molecular Weight356.47 g/mol
Exact Mass353.91
IUPAC Name2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(Nc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl5N2/c13-6-3-8(15)11(4-7(6)14)19-12-9(16)1-5(18)2-10(12)17/h1-4,19H,18H2
InChIKeyDGXFUORDIHVYPT-UHFFFAOYSA-N
XLogP6.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-1-N-[2-(dimethylamino)phenyl]benzene-1,4-diamine
CID 106890898
(2,4,5-trichlorophenyl)hydrazine
CID 1381942
2,6-dichloro-1-N-(3,4-difluorophenyl)benzene-1,4-diamine
CID 106889883
4-bromo-1-N-(2,4,5-trichlorophenyl)benzene-1,2-diamine
CID 29066726
4-iodo-1-N-(2,4,5-trichlorophenyl)benzene-1,2-diamine
CID 66066255
5-nitro-3-N-(2,4,5-trichlorophenyl)benzene-1,3-diamine
CID 80759726
2,6-dichloro-1-N-isoquinolin-8-ylbenzene-1,4-diamine
CID 106890617
2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine
CID 106889893
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
CID 138491779
2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine
CID 15294526
4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine
CID 83081059
1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 83077117

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine (CID 106889857) is 2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine is Nc1cc(Cl)c(Nc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine?
The InChIKey is DGXFUORDIHVYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl5N2/c13-6-3-8(15)11(4-7(6)14)19-12-9(16)1-5(18)2-10(12)17/h1-4,19H,18H2.
What are the key properties of 2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine?
2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine has a molecular weight of 356.47 g/mol, XLogP of 6.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(2,4,5-trichlorophenyl)benzene-1,4-diamine is sourced from PubChem (CID 106889857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).