2-chloro-N,N-bis(2-chlorophenyl)aniline

C18H12Cl3N — CID 22568343

IUPAC2-chloro-N,N-bis(2-chlorophenyl)aniline
SMILESClc1ccccc1N(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C18H12Cl3N/c19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H
InChIKeyHLTABYUNIRRSFQ-UHFFFAOYSA-N
MW348.66 g/mol
LogP7.12
Rot. Bonds3

About 2-chloro-N,N-bis(2-chlorophenyl)aniline

2-chloro-N,N-bis(2-chlorophenyl)aniline (PubChem CID 22568343) has the molecular formula C18H12Cl3N and a molecular weight of 348.66 g/mol. Its IUPAC name is 2-chloro-N,N-bis(2-chlorophenyl)aniline.

Molecular Properties

Compound Name2-chloro-N,N-bis(2-chlorophenyl)aniline
PubChem CID22568343
Molecular FormulaC18H12Cl3N
Molecular Weight348.66 g/mol
Exact Mass347.00
IUPAC Name2-chloro-N,N-bis(2-chlorophenyl)aniline
SMILESClc1ccccc1N(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C18H12Cl3N/c19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H
InChIKeyHLTABYUNIRRSFQ-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 2-chloro-N,N-bis(2-chlorophenyl)aniline?
The IUPAC name of 2-chloro-N,N-bis(2-chlorophenyl)aniline (CID 22568343) is 2-chloro-N,N-bis(2-chlorophenyl)aniline.
What is the SMILES notation for 2-chloro-N,N-bis(2-chlorophenyl)aniline?
The canonical SMILES for 2-chloro-N,N-bis(2-chlorophenyl)aniline is Clc1ccccc1N(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N,N-bis(2-chlorophenyl)aniline?
The InChIKey is HLTABYUNIRRSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3N/c19-13-7-1-4-10-16(13)22(17-11-5-2-8-14(17)20)18-12-6-3-9-15(18)21/h1-12H.
What are the key properties of 2-chloro-N,N-bis(2-chlorophenyl)aniline?
2-chloro-N,N-bis(2-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 2-chloro-N,N-bis(2-chlorophenyl)aniline is sourced from PubChem (CID 22568343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).