4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile

C15H10F4N2 — CID 107039079

IUPAC4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile
SMILESCc1cc(F)c(NCc2c(F)cc(C#N)cc2F)cc1F
InChIInChI=1S/C15H10F4N2/c1-8-2-14(19)15(5-11(8)16)21-7-10-12(17)3-9(6-20)4-13(10)18/h2-5,21H,7H2,1H3
InChIKeyGGAROMRSXKHDOM-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.04
Rot. Bonds3

About 4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile

4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile (PubChem CID 107039079) has the molecular formula C15H10F4N2 and a molecular weight of 294.25 g/mol. Its IUPAC name is 4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile
PubChem CID107039079
Molecular FormulaC15H10F4N2
Molecular Weight294.25 g/mol
Exact Mass294.08
IUPAC Name4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile
SMILESCc1cc(F)c(NCc2c(F)cc(C#N)cc2F)cc1F
InChIInChI=1S/C15H10F4N2/c1-8-2-14(19)15(5-11(8)16)21-7-10-12(17)3-9(6-20)4-13(10)18/h2-5,21H,7H2,1H3
InChIKeyGGAROMRSXKHDOM-UHFFFAOYSA-N
XLogP4.04
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-[(4-methoxy-2-methylanilino)methyl]benzonitrile
CID 107038342
4-[(4-bromo-2-fluoroanilino)methyl]-3,5-difluorobenzonitrile
CID 107037497
4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-3,5-difluorobenzonitrile
CID 107039064
4-[(2-bromo-5-methylanilino)methyl]-3,5-difluorobenzonitrile
CID 107038807
3,5-difluoro-4-[(2-methylsulfanylanilino)methyl]benzonitrile
CID 107037876
4-[(2,6-dimethylphenyl)methylamino]-3-fluorobenzonitrile
CID 81333601
3-fluoro-4-methyl-5-[(2,4,6-trimethylphenyl)methylamino]benzonitrile
CID 43728298
4-[(2,5-dichloroanilino)methyl]-3,5-difluorobenzonitrile
CID 107037451
4-[(2,6-dibromo-4-methylanilino)methyl]-3,5-difluorobenzonitrile
CID 107037762
4-[(4-bromo-3-methylanilino)methyl]-3,5-difluorobenzonitrile
CID 107037499
3,5-difluoro-4-[(4-methoxy-3-methylanilino)methyl]benzonitrile
CID 107038187
4-[(4-chloroanilino)methyl]-3,5-difluorobenzonitrile
CID 107037544

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile?
The IUPAC name of 4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile (CID 107039079) is 4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile?
The canonical SMILES for 4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile is Cc1cc(F)c(NCc2c(F)cc(C#N)cc2F)cc1F.
What is the InChIKey of 4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile?
The InChIKey is GGAROMRSXKHDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2/c1-8-2-14(19)15(5-11(8)16)21-7-10-12(17)3-9(6-20)4-13(10)18/h2-5,21H,7H2,1H3.
What are the key properties of 4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile?
4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile has a molecular weight of 294.25 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluoro-4-methylanilino)methyl]-3,5-difluorobenzonitrile is sourced from PubChem (CID 107039079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).