2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile

C14H9BrF2N2 — CID 114880935

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

About 2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile

2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile (PubChem CID 114880935) has the molecular formula C14H9BrF2N2 and a molecular weight of 323.14 g/mol. Its IUPAC name is 2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile
PubChem CID114880935
Molecular FormulaC14H9BrF2N2
Molecular Weight323.14 g/mol
Exact Mass321.99
IUPAC Name2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile
SMILESN#Cc1c(Br)cccc1NCc1ccc(F)cc1F
InChIInChI=1S/C14H9BrF2N2/c15-12-2-1-3-14(11(12)7-18)19-8-9-4-5-10(16)6-13(9)17/h1-6,19H,8H2
InChIKeyBWJUAROKSZUKMH-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-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580240
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
2-bromo-6-[(2,4-dimethoxyphenyl)methylamino]benzonitrile
CID 114881040
2-[(4-bromo-3-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 78982287
2-[(5-amino-2-hydroxyphenyl)methylamino]-6-bromobenzonitrile
CID 114887473
2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline
CID 28991921
4-[(5-bromo-2,4-difluoroanilino)methyl]-3-fluorobenzonitrile
CID 102847201
4-[[3-bromo-2-(methoxymethyl)anilino]methyl]-3-fluorobenzonitrile
CID 61167558
2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile
CID 107804560
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2-bromo-6-[(4-methyl-3-pyridinyl)methylamino]benzonitrile
CID 114956144
3-[(2-bromo-4-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 107114384

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile?
The IUPAC name of 2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile (CID 114880935) is 2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile.
What is the SMILES notation for 2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile?
The canonical SMILES for 2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile is N#Cc1c(Br)cccc1NCc1ccc(F)cc1F.
What is the InChIKey of 2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile?
The InChIKey is BWJUAROKSZUKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2/c15-12-2-1-3-14(11(12)7-18)19-8-9-4-5-10(16)6-13(9)17/h1-6,19H,8H2.
What are the key properties of 2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile?
2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile 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-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile is sourced from PubChem (CID 114880935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).