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

C13H8BrF4N — CID 43312818

IUPAC2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
SMILESFc1cc(F)c(NCc2cc(F)ccc2F)c(Br)c1
InChIInChI=1S/C13H8BrF4N/c14-10-4-9(16)5-12(18)13(10)19-6-7-3-8(15)1-2-11(7)17/h1-5,19H,6H2
InChIKeyLWJLPUCRBHUYGG-UHFFFAOYSA-N
MW334.11 g/mol
LogP4.62
Rot. Bonds3

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

2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline (PubChem CID 43312818) has the molecular formula C13H8BrF4N and a molecular weight of 334.11 g/mol. Its IUPAC name is 2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
PubChem CID43312818
Molecular FormulaC13H8BrF4N
Molecular Weight334.11 g/mol
Exact Mass332.98
IUPAC Name2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
SMILESFc1cc(F)c(NCc2cc(F)ccc2F)c(Br)c1
InChIInChI=1S/C13H8BrF4N/c14-10-4-9(16)5-12(18)13(10)19-6-7-3-8(15)1-2-11(7)17/h1-5,19H,6H2
InChIKeyLWJLPUCRBHUYGG-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
2-bromo-4,6-difluoro-N-[(5-fluoro-2-nitrophenyl)methyl]aniline
CID 43443621
2-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-4,6-difluoroaniline
CID 114841541
2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43775035
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43646669
2-bromo-6-chloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107610595
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline
CID 28991921
5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591672
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline
CID 106862279
2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876260
2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline
CID 43168289

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline?
The IUPAC name of 2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline (CID 43312818) is 2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline.
What is the SMILES notation for 2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline?
The canonical SMILES for 2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline is Fc1cc(F)c(NCc2cc(F)ccc2F)c(Br)c1.
What is the InChIKey of 2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline?
The InChIKey is LWJLPUCRBHUYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF4N/c14-10-4-9(16)5-12(18)13(10)19-6-7-3-8(15)1-2-11(7)17/h1-5,19H,6H2.
What are the key properties of 2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline?
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline has a molecular weight of 334.11 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline is sourced from PubChem (CID 43312818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).