3-(4-chloroanilino)-5-fluorobenzonitrile

C13H8ClFN2 — CID 102815066

IUPAC3-(4-chloroanilino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H8ClFN2/c14-10-1-3-12(4-2-10)17-13-6-9(8-16)5-11(15)7-13/h1-7,17H
InChIKeyJVKLAUUQGRNFCK-UHFFFAOYSA-N
MW246.67 g/mol
LogP4.09
Rot. Bonds2

About 3-(4-chloroanilino)-5-fluorobenzonitrile

3-(4-chloroanilino)-5-fluorobenzonitrile (PubChem CID 102815066) has the molecular formula C13H8ClFN2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 3-(4-chloroanilino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(4-chloroanilino)-5-fluorobenzonitrile
PubChem CID102815066
Molecular FormulaC13H8ClFN2
Molecular Weight246.67 g/mol
Exact Mass246.04
IUPAC Name3-(4-chloroanilino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H8ClFN2/c14-10-1-3-12(4-2-10)17-13-6-9(8-16)5-11(15)7-13/h1-7,17H
InChIKeyJVKLAUUQGRNFCK-UHFFFAOYSA-N
XLogP4.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-(2,3,5-trifluoroanilino)benzonitrile
CID 102816232
3-(4-bromo-2,3-dichloroanilino)-5-fluorobenzonitrile
CID 107790852
3-fluoro-5-(2-methylsulfanylanilino)benzonitrile
CID 107644883
4-[(4-chloroanilino)methyl]-3,5-difluorobenzonitrile
CID 107037544
3-(2,6-diethylanilino)-5-fluorobenzonitrile
CID 102814879
3-fluoro-5-[(1-methylpyrazol-4-yl)amino]benzonitrile
CID 102815375
[2-(3-cyano-5-fluoroanilino)-1H-pyridin-4-ylidene]-dioxidoazanium
CID 170189543
5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile
CID 107366251
5-(3-amino-5-fluoroanilino)-2-fluorobenzonitrile
CID 55057774
3-(4-chloro-2-methoxy-5-methylanilino)-5-fluorobenzonitrile
CID 102814882
N-(3,5-difluorophenyl)-3,4-difluoroaniline
CID 82536889
3-[2-(difluoromethylsulfanyl)anilino]-5-fluorobenzonitrile
CID 102814926

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-5-fluorobenzonitrile?
The IUPAC name of 3-(4-chloroanilino)-5-fluorobenzonitrile (CID 102815066) is 3-(4-chloroanilino)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(4-chloroanilino)-5-fluorobenzonitrile?
The canonical SMILES for 3-(4-chloroanilino)-5-fluorobenzonitrile is N#Cc1cc(F)cc(Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chloroanilino)-5-fluorobenzonitrile?
The InChIKey is JVKLAUUQGRNFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2/c14-10-1-3-12(4-2-10)17-13-6-9(8-16)5-11(15)7-13/h1-7,17H.
What are the key properties of 3-(4-chloroanilino)-5-fluorobenzonitrile?
3-(4-chloroanilino)-5-fluorobenzonitrile has a molecular weight of 246.67 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-5-fluorobenzonitrile is sourced from PubChem (CID 102815066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).