2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile

C15H12F2N2 — CID 55057726

IUPAC2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile
SMILESCc1cc(CNc2ccc(F)c(C#N)c2)ccc1F
InChIInChI=1S/C15H12F2N2/c1-10-6-11(2-4-14(10)16)9-19-13-3-5-15(17)12(7-13)8-18/h2-7,19H,9H2,1H3
InChIKeyUURWVCBQYRLQIZ-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.76
Rot. Bonds3

About 2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile

2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile (PubChem CID 55057726) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile
PubChem CID55057726
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile
SMILESCc1cc(CNc2ccc(F)c(C#N)c2)ccc1F
InChIInChI=1S/C15H12F2N2/c1-10-6-11(2-4-14(10)16)9-19-13-3-5-15(17)12(7-13)8-18/h2-7,19H,9H2,1H3
InChIKeyUURWVCBQYRLQIZ-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

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Related Compounds

5-[(3,4-dimethylphenyl)methylamino]-2-fluorobenzonitrile
CID 55057627
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzonitrile
CID 66473027
5-[(3-bromo-4-methylanilino)methyl]-2-fluorobenzonitrile
CID 103756678
2-fluoro-5-[(4-methyl-3-nitroanilino)methyl]benzonitrile
CID 107936143
5-[(3-chloro-4-hydroxyphenyl)methylamino]-2-fluorobenzonitrile
CID 55057823
4-[(3-cyano-4-fluoroanilino)methyl]-2-fluorobenzoic acid
CID 106699964
N-[(4-fluoro-3-methylphenyl)methyl]-2H-benzotriazol-5-amine
CID 71845501
5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
4-[(3-bromo-4-fluorophenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788476
5-[(1-ethylpyrrol-3-yl)methylamino]-2-fluorobenzonitrile
CID 66416360
5-[(3-ethoxyphenyl)methylamino]-2-fluorobenzonitrile
CID 62316098
5-[(3-chloro-4-methoxyanilino)methyl]-2-fluorobenzonitrile
CID 103756629

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile?
The IUPAC name of 2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile (CID 55057726) is 2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile is Cc1cc(CNc2ccc(F)c(C#N)c2)ccc1F.
What is the InChIKey of 2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile?
The InChIKey is UURWVCBQYRLQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c1-10-6-11(2-4-14(10)16)9-19-13-3-5-15(17)12(7-13)8-18/h2-7,19H,9H2,1H3.
What are the key properties of 2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile?
2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile 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 2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile is sourced from PubChem (CID 55057726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).