N-benzyl-2,4-dichloroaniline

C13H11Cl2N — CID 13339994

IUPACN-benzyl-2,4-dichloroaniline
SMILESClc1ccc(NCc2ccccc2)c(Cl)c1
InChIInChI=1S/C13H11Cl2N/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyCIOZTNUIZOLRED-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.61
Rot. Bonds3

About N-benzyl-2,4-dichloroaniline

N-benzyl-2,4-dichloroaniline (PubChem CID 13339994) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is N-benzyl-2,4-dichloroaniline.

Molecular Properties

Compound NameN-benzyl-2,4-dichloroaniline
PubChem CID13339994
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC NameN-benzyl-2,4-dichloroaniline
SMILESClc1ccc(NCc2ccccc2)c(Cl)c1
InChIInChI=1S/C13H11Cl2N/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyCIOZTNUIZOLRED-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dichloroaniline?
The IUPAC name of N-benzyl-2,4-dichloroaniline (CID 13339994) is N-benzyl-2,4-dichloroaniline.
What is the SMILES notation for N-benzyl-2,4-dichloroaniline?
The canonical SMILES for N-benzyl-2,4-dichloroaniline is Clc1ccc(NCc2ccccc2)c(Cl)c1.
What is the InChIKey of N-benzyl-2,4-dichloroaniline?
The InChIKey is CIOZTNUIZOLRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2.
What are the key properties of N-benzyl-2,4-dichloroaniline?
N-benzyl-2,4-dichloroaniline has a molecular weight of 252.14 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dichloroaniline is sourced from PubChem (CID 13339994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).