3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline

C15H13BrCl3NO — CID 43690723

IUPAC3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline
SMILESCCOc1c(Br)cc(Cl)cc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl3NO/c1-2-21-15-12(16)5-11(18)7-14(15)20-8-9-3-4-10(17)6-13(9)19/h3-7,20H,2,8H2,1H3
InChIKeyQFGYEHBIYLMDKO-UHFFFAOYSA-N
MW409.54 g/mol
LogP6.42
Rot. Bonds5

About 3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline

3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline (PubChem CID 43690723) has the molecular formula C15H13BrCl3NO and a molecular weight of 409.54 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline
PubChem CID43690723
Molecular FormulaC15H13BrCl3NO
Molecular Weight409.54 g/mol
Exact Mass406.92
IUPAC Name3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline
SMILESCCOc1c(Br)cc(Cl)cc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl3NO/c1-2-21-15-12(16)5-11(18)7-14(15)20-8-9-3-4-10(17)6-13(9)19/h3-7,20H,2,8H2,1H3
InChIKeyQFGYEHBIYLMDKO-UHFFFAOYSA-N
XLogP6.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.54
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline 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

3-bromo-5-chloro-2-ethoxy-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 63432667
N-benzyl-3-bromo-5-chloro-2-ethoxyaniline
CID 43690745
2-bromo-5-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]aniline
CID 81268819
3-bromo-5-chloro-N-[(3,5-difluorophenyl)methyl]-2-ethoxyaniline
CID 106528343
3-bromo-5-chloro-2-ethoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169650
3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline
CID 43690788
3-bromo-5-chloro-2-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936473
N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706260
3-bromo-5-chloro-2-ethoxy-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 75512729
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline
CID 63454126
2-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]ethanol
CID 2200479
N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline
CID 63450944

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline?
The IUPAC name of 3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline (CID 43690723) is 3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline.
What is the SMILES notation for 3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline?
The canonical SMILES for 3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline is CCOc1c(Br)cc(Cl)cc1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline?
The InChIKey is QFGYEHBIYLMDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl3NO/c1-2-21-15-12(16)5-11(18)7-14(15)20-8-9-3-4-10(17)6-13(9)19/h3-7,20H,2,8H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline?
3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline has a molecular weight of 409.54 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline is sourced from PubChem (CID 43690723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).