4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline

C15H12BrCl2F2N — CID 65468515

IUPAC4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline
SMILESCCC(Nc1c(F)cc(Br)cc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl2F2N/c1-2-14(10-4-3-9(17)7-11(10)18)21-15-12(19)5-8(16)6-13(15)20/h3-7,14,21H,2H2,1H3
InChIKeyAYFSALBBECETHV-UHFFFAOYSA-N
MW395.07 g/mol
LogP6.60
Rot. Bonds4

About 4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline

4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline (PubChem CID 65468515) has the molecular formula C15H12BrCl2F2N and a molecular weight of 395.07 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline
PubChem CID65468515
Molecular FormulaC15H12BrCl2F2N
Molecular Weight395.07 g/mol
Exact Mass392.95
IUPAC Name4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline
SMILESCCC(Nc1c(F)cc(Br)cc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12BrCl2F2N/c1-2-14(10-4-3-9(17)7-11(10)18)21-15-12(19)5-8(16)6-13(15)20/h3-7,14,21H,2H2,1H3
InChIKeyAYFSALBBECETHV-UHFFFAOYSA-N
XLogP6.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.07
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(2,4-dichlorophenyl)propyl]-6-fluoroaniline
CID 107598199
N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoro-3-methylaniline
CID 82799478
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
N-[1-(2,4-dichlorophenyl)propyl]-2,3,4-trifluoroaniline
CID 43503301
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-5-fluoroaniline
CID 107527392
4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
CID 107618733
N-[1-(2,4-dichlorophenyl)propyl]-2,5-difluoro-4-methylaniline
CID 103585203
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999
N-[1-(2,4-dichlorophenyl)propyl]-4-methylsulfanylaniline
CID 43503298
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline?
The IUPAC name of 4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline (CID 65468515) is 4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline.
What is the SMILES notation for 4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline?
The canonical SMILES for 4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline is CCC(Nc1c(F)cc(Br)cc1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline?
The InChIKey is AYFSALBBECETHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2F2N/c1-2-14(10-4-3-9(17)7-11(10)18)21-15-12(19)5-8(16)6-13(15)20/h3-7,14,21H,2H2,1H3.
What are the key properties of 4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline?
4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline has a molecular weight of 395.07 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2,4-dichlorophenyl)propyl]-2,6-difluoroaniline is sourced from PubChem (CID 65468515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).