4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile

C15H12F2N2 — CID 62981738

IUPAC4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1cc(F)ccc1F)c1ccc(C#N)cc1
InChIInChI=1S/C15H12F2N2/c1-19(14-5-2-11(9-18)3-6-14)10-12-8-13(16)4-7-15(12)17/h2-8H,10H2,1H3
InChIKeyKHHIBYMZFJUHLB-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.47
Rot. Bonds3

About 4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile

4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile (PubChem CID 62981738) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile
PubChem CID62981738
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile
SMILESCN(Cc1cc(F)ccc1F)c1ccc(C#N)cc1
InChIInChI=1S/C15H12F2N2/c1-19(14-5-2-11(9-18)3-6-14)10-12-8-13(16)4-7-15(12)17/h2-8H,10H2,1H3
InChIKeyKHHIBYMZFJUHLB-UHFFFAOYSA-N
XLogP3.47
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,5-dichlorophenyl)methyl-methylamino]benzonitrile
CID 65317327
4-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]benzonitrile
CID 102876735
4-[(3-bromo-5-fluorophenyl)methyl-methylamino]benzonitrile
CID 79709844
2-[(4-fluoro-N-methylanilino)methyl]benzonitrile
CID 60964779
3-fluoro-4-[(N,3,5-trimethylanilino)methyl]benzonitrile
CID 61036267
3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 47078108
6-[(2,5-difluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143001
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999
4-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]benzonitrile
CID 62982058
3-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluorobenzonitrile
CID 60703913
4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile
CID 62982737
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile?
The IUPAC name of 4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile (CID 62981738) is 4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile.
What is the SMILES notation for 4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile?
The canonical SMILES for 4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile is CN(Cc1cc(F)ccc1F)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile?
The InChIKey is KHHIBYMZFJUHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c1-19(14-5-2-11(9-18)3-6-14)10-12-8-13(16)4-7-15(12)17/h2-8H,10H2,1H3.
What are the key properties of 4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile?
4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile has a molecular weight of 258.27 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile is sourced from PubChem (CID 62981738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).