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

C13H8Br2F3N — CID 65469956

IUPAC4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
SMILESFc1ccc(CNc2c(F)cc(Br)cc2F)c(Br)c1
InChIInChI=1S/C13H8Br2F3N/c14-8-3-11(17)13(12(18)4-8)19-6-7-1-2-9(16)5-10(7)15/h1-5,19H,6H2
InChIKeyNFSUNYHGYZWOHD-UHFFFAOYSA-N
MW395.02 g/mol
LogP5.24
Rot. Bonds3

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

4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline (PubChem CID 65469956) has the molecular formula C13H8Br2F3N and a molecular weight of 395.02 g/mol. Its IUPAC name is 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
PubChem CID65469956
Molecular FormulaC13H8Br2F3N
Molecular Weight395.02 g/mol
Exact Mass392.90
IUPAC Name4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
SMILESFc1ccc(CNc2c(F)cc(Br)cc2F)c(Br)c1
InChIInChI=1S/C13H8Br2F3N/c14-8-3-11(17)13(12(18)4-8)19-6-7-1-2-9(16)5-10(7)15/h1-5,19H,6H2
InChIKeyNFSUNYHGYZWOHD-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

4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469947
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline
CID 28991921
4-bromo-N-[(2-bromo-4-nitrophenyl)methyl]-2,6-difluoroaniline
CID 65468429
4-[(4-bromo-2,6-difluoroanilino)methyl]benzene-1,3-diol
CID 65468517
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,6-difluoroaniline
CID 66155639
2-[(4-bromo-2,6-difluoroanilino)methyl]phenol
CID 65468718
4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline
CID 65469109
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
2-bromo-6-chloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107610595

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline?
The IUPAC name of 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline (CID 65469956) is 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline.
What is the SMILES notation for 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline?
The canonical SMILES for 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline is Fc1ccc(CNc2c(F)cc(Br)cc2F)c(Br)c1.
What is the InChIKey of 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline?
The InChIKey is NFSUNYHGYZWOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F3N/c14-8-3-11(17)13(12(18)4-8)19-6-7-1-2-9(16)5-10(7)15/h1-5,19H,6H2.
What are the key properties of 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline?
4-bromo-N-[(2-bromo-4-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-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline is sourced from PubChem (CID 65469956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).