4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline

C13H9Br2Cl2N — CID 114076417

IUPAC4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline
SMILESClc1cc(CNc2ccc(Br)cc2Cl)ccc1Br
InChIInChI=1S/C13H9Br2Cl2N/c14-9-2-4-13(12(17)6-9)18-7-8-1-3-10(15)11(16)5-8/h1-6,18H,7H2
InChIKeyGHVGJMBHFXZOTE-UHFFFAOYSA-N
MW409.94 g/mol
LogP6.13
Rot. Bonds3

About 4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline

4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline (PubChem CID 114076417) has the molecular formula C13H9Br2Cl2N and a molecular weight of 409.94 g/mol. Its IUPAC name is 4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline.

Molecular Properties

Compound Name4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline
PubChem CID114076417
Molecular FormulaC13H9Br2Cl2N
Molecular Weight409.94 g/mol
Exact Mass406.85
IUPAC Name4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline
SMILESClc1cc(CNc2ccc(Br)cc2Cl)ccc1Br
InChIInChI=1S/C13H9Br2Cl2N/c14-9-2-4-13(12(17)6-9)18-7-8-1-3-10(15)11(16)5-8/h1-6,18H,7H2
InChIKeyGHVGJMBHFXZOTE-UHFFFAOYSA-N
XLogP6.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.94
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
CID 43347330
4-bromo-2-chloro-N-(pyrimidin-5-ylmethyl)aniline
CID 62758955
2-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-5-methylaniline
CID 114076624
4-bromo-2-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 102909447
N-[(4-bromo-3-chlorophenyl)methyl]-2-chloro-5-iodoaniline
CID 114258545
4-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-2-chloroaniline
CID 79710392
N-[(4-bromo-3-chlorophenyl)methyl]-4-iodo-2-methylaniline
CID 114076429
N-[(4-bromo-3-chlorophenyl)methyl]-2,5-difluoroaniline
CID 114076366
4-bromo-2-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979060
4-bromo-2-chloro-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]aniline
CID 43168123
N-[(4-bromo-3-fluorophenyl)methyl]-2-chloro-4-iodoaniline
CID 81436146
4-bromo-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-chloroaniline
CID 43347172

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline?
The IUPAC name of 4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline (CID 114076417) is 4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline.
What is the SMILES notation for 4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline?
The canonical SMILES for 4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline is Clc1cc(CNc2ccc(Br)cc2Cl)ccc1Br.
What is the InChIKey of 4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline?
The InChIKey is GHVGJMBHFXZOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2Cl2N/c14-9-2-4-13(12(17)6-9)18-7-8-1-3-10(15)11(16)5-8/h1-6,18H,7H2.
What are the key properties of 4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline?
4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline has a molecular weight of 409.94 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-2-chloroaniline is sourced from PubChem (CID 114076417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).