3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile

C15H12F2N2 — CID 43728284

IUPAC3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile
SMILESCc1c(F)cc(C#N)cc1NCc1ccc(F)cc1
InChIInChI=1S/C15H12F2N2/c1-10-14(17)6-12(8-18)7-15(10)19-9-11-2-4-13(16)5-3-11/h2-7,19H,9H2,1H3
InChIKeyNWPNSBAJOHJEDA-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.76
Rot. Bonds3

About 3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile

3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile (PubChem CID 43728284) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile
PubChem CID43728284
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile
SMILESCc1c(F)cc(C#N)cc1NCc1ccc(F)cc1
InChIInChI=1S/C15H12F2N2/c1-10-14(17)6-12(8-18)7-15(10)19-9-11-2-4-13(16)5-3-11/h2-7,19H,9H2,1H3
InChIKeyNWPNSBAJOHJEDA-UHFFFAOYSA-N
XLogP3.76
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-5-[(3-fluoro-4-hydroxyphenyl)methylamino]-4-methylbenzonitrile
CID 107685525
3-fluoro-4-methyl-5-[(3-methylphenyl)methylamino]benzonitrile
CID 43728296
3-fluoro-4-methyl-5-[(2,4,6-trimethylphenyl)methylamino]benzonitrile
CID 43728298
3-[(2-ethylphenyl)methylamino]-5-fluoro-4-methylbenzonitrile
CID 62391432
3-fluoro-4-methyl-5-[(1-propylpyrrol-2-yl)methylamino]benzonitrile
CID 66413313
3-[(3-ethoxyphenyl)methylamino]-5-fluoro-4-methylbenzonitrile
CID 60873522
3-[(5-chlorothiophen-2-yl)methylamino]-5-fluoro-4-methylbenzonitrile
CID 43728256
3-fluoro-5-(1H-indol-3-ylmethylamino)-4-methylbenzonitrile
CID 62332437
3-[(2-chloro-6-hydroxyphenyl)methylamino]-5-fluoro-4-methylbenzonitrile
CID 114318071
3-amino-4-[(4-fluorophenyl)methylamino]benzonitrile
CID 43518027
3-(2-ethylbutylamino)-5-fluoro-4-methylbenzonitrile
CID 43728330
3-fluoro-4-methyl-5-(pentylamino)benzonitrile
CID 43728241

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile?
The IUPAC name of 3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile (CID 43728284) is 3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile.
What is the SMILES notation for 3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile?
The canonical SMILES for 3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile is Cc1c(F)cc(C#N)cc1NCc1ccc(F)cc1.
What is the InChIKey of 3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile?
The InChIKey is NWPNSBAJOHJEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c1-10-14(17)6-12(8-18)7-15(10)19-9-11-2-4-13(16)5-3-11/h2-7,19H,9H2,1H3.
What are the key properties of 3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile?
3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile has a molecular weight of 258.27 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(4-fluorophenyl)methylamino]-4-methylbenzonitrile is sourced from PubChem (CID 43728284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).