4-chloro-N,N-bis(4-chlorophenyl)aniline

C18H12Cl3N — CID 15066327

IUPAC4-chloro-N,N-bis(4-chlorophenyl)aniline
SMILESClc1ccc(N(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H12Cl3N/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
InChIKeyJFRLLLYUUXSGQY-UHFFFAOYSA-N
MW348.66 g/mol
LogP7.12
Rot. Bonds3

About 4-chloro-N,N-bis(4-chlorophenyl)aniline

4-chloro-N,N-bis(4-chlorophenyl)aniline (PubChem CID 15066327) has the molecular formula C18H12Cl3N and a molecular weight of 348.66 g/mol. Its IUPAC name is 4-chloro-N,N-bis(4-chlorophenyl)aniline.

Molecular Properties

Compound Name4-chloro-N,N-bis(4-chlorophenyl)aniline
PubChem CID15066327
Molecular FormulaC18H12Cl3N
Molecular Weight348.66 g/mol
Exact Mass347.00
IUPAC Name4-chloro-N,N-bis(4-chlorophenyl)aniline
SMILESClc1ccc(N(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H12Cl3N/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
InChIKeyJFRLLLYUUXSGQY-UHFFFAOYSA-N
XLogP7.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.66
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-bis(4-chlorophenyl)aniline?
The IUPAC name of 4-chloro-N,N-bis(4-chlorophenyl)aniline (CID 15066327) is 4-chloro-N,N-bis(4-chlorophenyl)aniline.
What is the SMILES notation for 4-chloro-N,N-bis(4-chlorophenyl)aniline?
The canonical SMILES for 4-chloro-N,N-bis(4-chlorophenyl)aniline is Clc1ccc(N(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N,N-bis(4-chlorophenyl)aniline?
The InChIKey is JFRLLLYUUXSGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3N/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,N-bis(4-chlorophenyl)aniline?
4-chloro-N,N-bis(4-chlorophenyl)aniline has a molecular weight of 348.66 g/mol, XLogP of 7.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-bis(4-chlorophenyl)aniline is sourced from PubChem (CID 15066327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).