2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline

C13H9Br3FN — CID 43683047

IUPAC2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
SMILESFc1ccc(Br)cc1CNc1ccc(Br)cc1Br
InChIInChI=1S/C13H9Br3FN/c14-9-1-3-12(17)8(5-9)7-18-13-4-2-10(15)6-11(13)16/h1-6,18H,7H2
InChIKeyKONCECYZBZZINJ-UHFFFAOYSA-N
MW437.93 g/mol
LogP5.73
Rot. Bonds3

About 2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline

2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline (PubChem CID 43683047) has the molecular formula C13H9Br3FN and a molecular weight of 437.93 g/mol. Its IUPAC name is 2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
PubChem CID43683047
Molecular FormulaC13H9Br3FN
Molecular Weight437.93 g/mol
Exact Mass434.83
IUPAC Name2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
SMILESFc1ccc(Br)cc1CNc1ccc(Br)cc1Br
InChIInChI=1S/C13H9Br3FN/c14-9-1-3-12(17)8(5-9)7-18-13-4-2-10(15)6-11(13)16/h1-6,18H,7H2
InChIKeyKONCECYZBZZINJ-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 63492584
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
CID 60960603
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
CID 107598279
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
4-amino-3-[(5-bromo-2-fluorophenyl)methylamino]benzenesulfonamide
CID 82900077
2,4-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43229923
methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate
CID 43678754
3-[(5-bromo-2-fluorophenyl)methylamino]-4-methylbenzenesulfonamide
CID 43744162
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657
3-[(2-bromo-4-fluoroanilino)methyl]-4-fluorobenzoic acid
CID 107452485
3-[(2,4-dibromoanilino)methyl]-2-fluorobenzonitrile
CID 107114487

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline?
The IUPAC name of 2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline (CID 43683047) is 2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline.
What is the SMILES notation for 2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline?
The canonical SMILES for 2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline is Fc1ccc(Br)cc1CNc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline?
The InChIKey is KONCECYZBZZINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br3FN/c14-9-1-3-12(17)8(5-9)7-18-13-4-2-10(15)6-11(13)16/h1-6,18H,7H2.
What are the key properties of 2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline?
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline has a molecular weight of 437.93 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline is sourced from PubChem (CID 43683047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).