4-(5-bromo-2-fluorophenyl)-3-chloroaniline

C12H8BrClFN — CID 107615868

IUPAC4-(5-bromo-2-fluorophenyl)-3-chloroaniline
SMILESNc1ccc(-c2cc(Br)ccc2F)c(Cl)c1
InChIInChI=1S/C12H8BrClFN/c13-7-1-4-12(15)10(5-7)9-3-2-8(16)6-11(9)14/h1-6H,16H2
InChIKeyKUSHIFZGWHBCHU-UHFFFAOYSA-N
MW300.56 g/mol
LogP4.49
Rot. Bonds1

About 4-(5-bromo-2-fluorophenyl)-3-chloroaniline

4-(5-bromo-2-fluorophenyl)-3-chloroaniline (PubChem CID 107615868) has the molecular formula C12H8BrClFN and a molecular weight of 300.56 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-3-chloroaniline.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-3-chloroaniline
PubChem CID107615868
Molecular FormulaC12H8BrClFN
Molecular Weight300.56 g/mol
Exact Mass298.95
IUPAC Name4-(5-bromo-2-fluorophenyl)-3-chloroaniline
SMILESNc1ccc(-c2cc(Br)ccc2F)c(Cl)c1
InChIInChI=1S/C12H8BrClFN/c13-7-1-4-12(15)10(5-7)9-3-2-8(16)6-11(9)14/h1-6H,16H2
InChIKeyKUSHIFZGWHBCHU-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-2-fluorophenyl)-3-chlorobenzoic acid
CID 81308229
1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene
CID 123513311
4-(2-bromophenyl)-3-chloroaniline
CID 107615953
3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline
CID 107615986
2-(4-bromo-2-chlorophenyl)-4-chlorophenol
CID 142753932
5-(5-bromo-2-fluorophenyl)-2-chlorophenol
CID 83130970
2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione
CID 43167704
3-fluoro-4-(2,4,6-trichlorophenyl)aniline
CID 105349877
4-(4-bromothiophen-2-yl)-3-chloroaniline
CID 154666152
4-[(5-bromo-2-fluorophenyl)methylsulfinyl]-3-chloroaniline
CID 81181640
4-(5-bromo-1,3-benzothiazol-2-yl)-3-chloroaniline
CID 61398960
3-(2,5-difluorophenyl)-4-fluoroaniline
CID 104781179

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-3-chloroaniline?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-3-chloroaniline (CID 107615868) is 4-(5-bromo-2-fluorophenyl)-3-chloroaniline.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-3-chloroaniline?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-3-chloroaniline is Nc1ccc(-c2cc(Br)ccc2F)c(Cl)c1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-3-chloroaniline?
The InChIKey is KUSHIFZGWHBCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFN/c13-7-1-4-12(15)10(5-7)9-3-2-8(16)6-11(9)14/h1-6H,16H2.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-3-chloroaniline?
4-(5-bromo-2-fluorophenyl)-3-chloroaniline has a molecular weight of 300.56 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-3-chloroaniline is sourced from PubChem (CID 107615868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).