4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline

C13H10Cl3N — CID 21321343

IUPAC4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline
SMILESClc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H10Cl3N/c14-10-2-4-11(5-3-10)17-8-9-1-6-12(15)13(16)7-9/h1-7,17H,8H2
InChIKeyVIZWDAOZENFBIZ-UHFFFAOYSA-N
MW286.59 g/mol
LogP5.26
Rot. Bonds3

About 4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline

4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline (PubChem CID 21321343) has the molecular formula C13H10Cl3N and a molecular weight of 286.59 g/mol. Its IUPAC name is 4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline
PubChem CID21321343
Molecular FormulaC13H10Cl3N
Molecular Weight286.59 g/mol
Exact Mass284.99
IUPAC Name4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline
SMILESClc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H10Cl3N/c14-10-2-4-11(5-3-10)17-8-9-1-6-12(15)13(16)7-9/h1-7,17H,8H2
InChIKeyVIZWDAOZENFBIZ-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.59
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline (CID 21321343) is 4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline is Clc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline?
The InChIKey is VIZWDAOZENFBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N/c14-10-2-4-11(5-3-10)17-8-9-1-6-12(15)13(16)7-9/h1-7,17H,8H2.
What are the key properties of 4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline?
4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline has a molecular weight of 286.59 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,4-dichlorophenyl)methyl]aniline is sourced from PubChem (CID 21321343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).