3-(4-fluoro-N-methylanilino)benzonitrile

C14H11FN2 — CID 102816079

IUPAC3-(4-fluoro-N-methylanilino)benzonitrile
SMILESCN(c1ccc(F)cc1)c1cccc(C#N)c1
InChIInChI=1S/C14H11FN2/c1-17(13-7-5-12(15)6-8-13)14-4-2-3-11(9-14)10-16/h2-9H,1H3
InChIKeyGHQOUSLPBSQMPS-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.47
Rot. Bonds2

About 3-(4-fluoro-N-methylanilino)benzonitrile

3-(4-fluoro-N-methylanilino)benzonitrile (PubChem CID 102816079) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-(4-fluoro-N-methylanilino)benzonitrile.

Molecular Properties

Compound Name3-(4-fluoro-N-methylanilino)benzonitrile
PubChem CID102816079
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name3-(4-fluoro-N-methylanilino)benzonitrile
SMILESCN(c1ccc(F)cc1)c1cccc(C#N)c1
InChIInChI=1S/C14H11FN2/c1-17(13-7-5-12(15)6-8-13)14-4-2-3-11(9-14)10-16/h2-9H,1H3
InChIKeyGHQOUSLPBSQMPS-UHFFFAOYSA-N
XLogP3.47
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethyl-N-methylanilino)benzonitrile
CID 102816090
2-(3-cyano-N-methylanilino)-5-fluorobenzonitrile
CID 63673765
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile
CID 62982382
3-[N-methyl-4-(N-(4-methylphenyl)anilino)anilino]benzonitrile;4-[N-methyl-4-(N-(4-methylphenyl)anilino)anilino]benzonitrile;1-N-methyl-4-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158097800
3-[methyl(methylsulfanyl)amino]benzonitrile
CID 146320456
2-(3-cyano-N-methylanilino)-6-fluorobenzonitrile
CID 79513741
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N,3-diphenylaniline;3-[N-methyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]anilino]benzonitrile
CID 158146375
3-[N-methyl-4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]anilino]benzonitrile
CID 59431954
2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile
CID 113295659
3-[N-methyl-4-(N-(3-phenylphenyl)anilino)anilino]benzonitrile;4-[N-methyl-4-(N-(3-phenylphenyl)anilino)anilino]benzonitrile
CID 158019618
[4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium
CID 143684762

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-methylanilino)benzonitrile?
The IUPAC name of 3-(4-fluoro-N-methylanilino)benzonitrile (CID 102816079) is 3-(4-fluoro-N-methylanilino)benzonitrile.
What is the SMILES notation for 3-(4-fluoro-N-methylanilino)benzonitrile?
The canonical SMILES for 3-(4-fluoro-N-methylanilino)benzonitrile is CN(c1ccc(F)cc1)c1cccc(C#N)c1.
What is the InChIKey of 3-(4-fluoro-N-methylanilino)benzonitrile?
The InChIKey is GHQOUSLPBSQMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c1-17(13-7-5-12(15)6-8-13)14-4-2-3-11(9-14)10-16/h2-9H,1H3.
What are the key properties of 3-(4-fluoro-N-methylanilino)benzonitrile?
3-(4-fluoro-N-methylanilino)benzonitrile has a molecular weight of 226.25 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-methylanilino)benzonitrile is sourced from PubChem (CID 102816079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).