4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline

C13H8Br2F3N — CID 65467746

IUPAC4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
SMILESFc1ccc(Br)cc1CNc1c(F)cc(Br)cc1F
InChIInChI=1S/C13H8Br2F3N/c14-8-1-2-10(16)7(3-8)6-19-13-11(17)4-9(15)5-12(13)18/h1-5,19H,6H2
InChIKeyGYQUPTJBJQLYNY-UHFFFAOYSA-N
MW395.02 g/mol
LogP5.24
Rot. Bonds3

About 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline

4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline (PubChem CID 65467746) has the molecular formula C13H8Br2F3N and a molecular weight of 395.02 g/mol. Its IUPAC name is 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
PubChem CID65467746
Molecular FormulaC13H8Br2F3N
Molecular Weight395.02 g/mol
Exact Mass392.90
IUPAC Name4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
SMILESFc1ccc(Br)cc1CNc1c(F)cc(Br)cc1F
InChIInChI=1S/C13H8Br2F3N/c14-8-1-2-10(16)7(3-8)6-19-13-11(17)4-9(15)5-12(13)18/h1-5,19H,6H2
InChIKeyGYQUPTJBJQLYNY-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.02
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
CID 107598279
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,6-difluoroaniline
CID 66155639
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
2-[(4-bromo-2,6-difluoroanilino)methyl]phenol
CID 65468718
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 43093210
4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline
CID 65469109
4-[(4-bromo-2,6-difluoroanilino)methyl]benzene-1,3-diol
CID 65468517
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline
CID 114841513
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657
N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 106194284

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline?
The IUPAC name of 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline (CID 65467746) is 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline.
What is the SMILES notation for 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline?
The canonical SMILES for 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline is Fc1ccc(Br)cc1CNc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline?
The InChIKey is GYQUPTJBJQLYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F3N/c14-8-1-2-10(16)7(3-8)6-19-13-11(17)4-9(15)5-12(13)18/h1-5,19H,6H2.
What are the key properties of 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline?
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline has a molecular weight of 395.02 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline is sourced from PubChem (CID 65467746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).