4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline

C18H12Cl2IN — CID 11015668

IUPAC4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline
SMILESClc1ccc(N(c2ccc(Cl)cc2)c2ccc(I)cc2)cc1
InChIInChI=1S/C18H12Cl2IN/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKeyCIOMFZVJOARHBR-UHFFFAOYSA-N
MW440.11 g/mol
LogP7.07
Rot. Bonds3

About 4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline

4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline (PubChem CID 11015668) has the molecular formula C18H12Cl2IN and a molecular weight of 440.11 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline
PubChem CID11015668
Molecular FormulaC18H12Cl2IN
Molecular Weight440.11 g/mol
Exact Mass438.94
IUPAC Name4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline
SMILESClc1ccc(N(c2ccc(Cl)cc2)c2ccc(I)cc2)cc1
InChIInChI=1S/C18H12Cl2IN/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKeyCIOMFZVJOARHBR-UHFFFAOYSA-N
XLogP7.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.11
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline (CID 11015668) is 4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline is Clc1ccc(N(c2ccc(Cl)cc2)c2ccc(I)cc2)cc1.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline?
The InChIKey is CIOMFZVJOARHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2IN/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H.
What are the key properties of 4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline?
4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline has a molecular weight of 440.11 g/mol, XLogP of 7.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-N-(4-iodophenyl)aniline is sourced from PubChem (CID 11015668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).