3,5-difluoro-4-(2-methylanilino)benzonitrile

C14H10F2N2 — CID 81283901

IUPAC3,5-difluoro-4-(2-methylanilino)benzonitrile
SMILESCc1ccccc1Nc1c(F)cc(C#N)cc1F
InChIInChI=1S/C14H10F2N2/c1-9-4-2-3-5-13(9)18-14-11(15)6-10(8-17)7-12(14)16/h2-7,18H,1H3
InChIKeyOLKBYOLGJGHKKJ-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.89
Rot. Bonds2

About 3,5-difluoro-4-(2-methylanilino)benzonitrile

3,5-difluoro-4-(2-methylanilino)benzonitrile (PubChem CID 81283901) has the molecular formula C14H10F2N2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 3,5-difluoro-4-(2-methylanilino)benzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-(2-methylanilino)benzonitrile
PubChem CID81283901
Molecular FormulaC14H10F2N2
Molecular Weight244.24 g/mol
Exact Mass244.08
IUPAC Name3,5-difluoro-4-(2-methylanilino)benzonitrile
SMILESCc1ccccc1Nc1c(F)cc(C#N)cc1F
InChIInChI=1S/C14H10F2N2/c1-9-4-2-3-5-13(9)18-14-11(15)6-10(8-17)7-12(14)16/h2-7,18H,1H3
InChIKeyOLKBYOLGJGHKKJ-UHFFFAOYSA-N
XLogP3.89
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile
CID 81283252
4-(4-bromo-2-methylanilino)-3,5-difluorobenzonitrile
CID 81283533
3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile
CID 81283820
4-(4-bromo-3,5-dimethylanilino)-3,5-difluorobenzonitrile
CID 107574588
3-amino-4-(2-methylanilino)benzonitrile
CID 43518137
4-(2-bromo-4-fluoroanilino)-3,5-difluorobenzonitrile
CID 81283463
4-(5-chloro-2-methoxyanilino)-3,5-difluorobenzonitrile
CID 81283320
N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide
CID 81287246
2-(2,6-dimethylanilino)benzonitrile
CID 29041998
4-methyl-2-(2-methylanilino)benzonitrile
CID 62302441
3,5-difluoro-4-[(1-methylpyrazol-3-yl)amino]benzonitrile
CID 81293628
3,5-difluoro-4-[(2-methylsulfanylanilino)methyl]benzonitrile
CID 107037876

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(2-methylanilino)benzonitrile?
The IUPAC name of 3,5-difluoro-4-(2-methylanilino)benzonitrile (CID 81283901) is 3,5-difluoro-4-(2-methylanilino)benzonitrile.
What is the SMILES notation for 3,5-difluoro-4-(2-methylanilino)benzonitrile?
The canonical SMILES for 3,5-difluoro-4-(2-methylanilino)benzonitrile is Cc1ccccc1Nc1c(F)cc(C#N)cc1F.
What is the InChIKey of 3,5-difluoro-4-(2-methylanilino)benzonitrile?
The InChIKey is OLKBYOLGJGHKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2/c1-9-4-2-3-5-13(9)18-14-11(15)6-10(8-17)7-12(14)16/h2-7,18H,1H3.
What are the key properties of 3,5-difluoro-4-(2-methylanilino)benzonitrile?
3,5-difluoro-4-(2-methylanilino)benzonitrile has a molecular weight of 244.24 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(2-methylanilino)benzonitrile is sourced from PubChem (CID 81283901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).