4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline

C13H9Br2F2N — CID 65437532

IUPAC4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
SMILESFc1ccc(CNc2ccc(Br)c(F)c2)c(Br)c1
InChIInChI=1S/C13H9Br2F2N/c14-11-4-3-10(6-13(11)17)18-7-8-1-2-9(16)5-12(8)15/h1-6,18H,7H2
InChIKeyOZXFQTMIXBRJJE-UHFFFAOYSA-N
MW377.03 g/mol
LogP5.10
Rot. Bonds3

About 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline

4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline (PubChem CID 65437532) has the molecular formula C13H9Br2F2N and a molecular weight of 377.03 g/mol. Its IUPAC name is 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
PubChem CID65437532
Molecular FormulaC13H9Br2F2N
Molecular Weight377.03 g/mol
Exact Mass374.91
IUPAC Name4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
SMILESFc1ccc(CNc2ccc(Br)c(F)c2)c(Br)c1
InChIInChI=1S/C13H9Br2F2N/c14-11-4-3-10(6-13(11)17)18-7-8-1-2-9(16)5-12(8)15/h1-6,18H,7H2
InChIKeyOZXFQTMIXBRJJE-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.03
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55196577
N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
CID 28884630
4-bromo-3-fluoro-N-[(4-fluoro-2-pyridin-3-ylphenyl)methyl]aniline
CID 174712306
N-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28511745
N-[(2-bromo-5-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380826
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
N-[(2-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)aniline
CID 65023906
4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
CID 28576301
N-[(2-bromo-4-fluorophenyl)methyl]-3-methoxyaniline
CID 28585613
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoroaniline
CID 106263519
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
4-bromo-N-[(4-bromo-2-nitrophenyl)methyl]-3-fluoroaniline
CID 114381370

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline?
The IUPAC name of 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline (CID 65437532) is 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline.
What is the SMILES notation for 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline?
The canonical SMILES for 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline is Fc1ccc(CNc2ccc(Br)c(F)c2)c(Br)c1.
What is the InChIKey of 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline?
The InChIKey is OZXFQTMIXBRJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2F2N/c14-11-4-3-10(6-13(11)17)18-7-8-1-2-9(16)5-12(8)15/h1-6,18H,7H2.
What are the key properties of 4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline?
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline has a molecular weight of 377.03 g/mol, XLogP of 5.10, 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]-3-fluoroaniline is sourced from PubChem (CID 65437532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).