4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline

C12H8Cl4N2 — CID 27465

IUPAC4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
SMILESNc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl
InChIInChI=1S/C12H8Cl4N2/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,17-18H2
InChIKeyUXOXUHMFQZEAFR-UHFFFAOYSA-N
MW322.02 g/mol
LogP5.13
Rot. Bonds1

About 4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline

4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline (PubChem CID 27465) has the molecular formula C12H8Cl4N2 and a molecular weight of 322.02 g/mol. Its IUPAC name is 4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline.

Molecular Properties

Compound Name4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
PubChem CID27465
Molecular FormulaC12H8Cl4N2
Molecular Weight322.02 g/mol
Exact Mass319.94
IUPAC Name4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline
SMILESNc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl
InChIInChI=1S/C12H8Cl4N2/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,17-18H2
InChIKeyUXOXUHMFQZEAFR-UHFFFAOYSA-N
XLogP5.13
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.02
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline?
The IUPAC name of 4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline (CID 27465) is 4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline.
What is the SMILES notation for 4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline?
The canonical SMILES for 4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline is Nc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl.
What is the InChIKey of 4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline?
The InChIKey is UXOXUHMFQZEAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl4N2/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H,17-18H2.
What are the key properties of 4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline?
4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline has a molecular weight of 322.02 g/mol, XLogP of 5.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,5-dichlorophenyl)-2,5-dichloroaniline is sourced from PubChem (CID 27465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).