2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile

C14H9BrF2N2 — CID 43580240

IUPAC2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NCc1ccc(Br)cc1F
InChIInChI=1S/C14H9BrF2N2/c15-10-5-4-9(13(17)6-10)8-19-14-3-1-2-12(16)11(14)7-18/h1-6,19H,8H2
InChIKeyUNHKTQOIXXWGDG-UHFFFAOYSA-N
MW323.14 g/mol
LogP4.21
Rot. Bonds3

About 2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile

2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile (PubChem CID 43580240) has the molecular formula C14H9BrF2N2 and a molecular weight of 323.14 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
PubChem CID43580240
Molecular FormulaC14H9BrF2N2
Molecular Weight323.14 g/mol
Exact Mass321.99
IUPAC Name2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NCc1ccc(Br)cc1F
InChIInChI=1S/C14H9BrF2N2/c15-10-5-4-9(13(17)6-10)8-19-14-3-1-2-12(16)11(14)7-18/h1-6,19H,8H2
InChIKeyUNHKTQOIXXWGDG-UHFFFAOYSA-N
XLogP4.21
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile
CID 114880935
2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580666
2-[(4-cyano-2-methylphenyl)methylamino]-6-fluorobenzonitrile
CID 114479886
N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 43093210
2-[(4-bromo-3-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 78982287
2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile
CID 65316370
N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dichloroaniline
CID 43243000
3-[(2-cyano-3-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 107114421
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580270
2-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]-6-fluorobenzonitrile
CID 43580238
2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile
CID 79513028

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile (CID 43580240) is 2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile is N#Cc1c(F)cccc1NCc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile?
The InChIKey is UNHKTQOIXXWGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2/c15-10-5-4-9(13(17)6-10)8-19-14-3-1-2-12(16)11(14)7-18/h1-6,19H,8H2.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile?
2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile has a molecular weight of 323.14 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile is sourced from PubChem (CID 43580240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).