2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile

C14H9FN4 — CID 104716975

IUPAC2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(C#N)c2N)c(F)c1
InChIInChI=1S/C14H9FN4/c15-11-6-9(7-16)4-5-12(11)19-13-3-1-2-10(8-17)14(13)18/h1-6,19H,18H2
InChIKeyQJVMVRCNXMYORQ-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.89
Rot. Bonds2

About 2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile

2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile (PubChem CID 104716975) has the molecular formula C14H9FN4 and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile.

Molecular Properties

Compound Name2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile
PubChem CID104716975
Molecular FormulaC14H9FN4
Molecular Weight252.25 g/mol
Exact Mass252.08
IUPAC Name2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile
SMILESN#Cc1ccc(Nc2cccc(C#N)c2N)c(F)c1
InChIInChI=1S/C14H9FN4/c15-11-6-9(7-16)4-5-12(11)19-13-3-1-2-10(8-17)14(13)18/h1-6,19H,18H2
InChIKeyQJVMVRCNXMYORQ-UHFFFAOYSA-N
XLogP2.89
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-2-methylanilino)-3-fluorobenzonitrile
CID 43657055
3-fluoro-4-(3-fluoroanilino)benzonitrile
CID 43657175
2-amino-3-(2-bromo-6-fluoroanilino)benzonitrile
CID 107596630
3-fluoro-4-(3-iodoanilino)benzonitrile
CID 43657311
3-fluoro-4-(isoquinolin-5-ylamino)benzonitrile
CID 43808556
4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile
CID 43657318
3-amino-4-(2,6-difluoroanilino)benzonitrile
CID 43518142
4-amino-3-(4-bromo-2-fluoroanilino)benzonitrile
CID 104711437
2-amino-3-(4-bromo-2-ethylanilino)benzonitrile
CID 104716967
3-fluoro-4-(methylamino)benzonitrile
CID 21029569
4-[(5-aminoisoquinolin-8-yl)amino]-3-fluorobenzonitrile
CID 103138842
2-amino-3-(4-methoxyanilino)benzonitrile
CID 104716194

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile?
The IUPAC name of 2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile (CID 104716975) is 2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile.
What is the SMILES notation for 2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile?
The canonical SMILES for 2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile is N#Cc1ccc(Nc2cccc(C#N)c2N)c(F)c1.
What is the InChIKey of 2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile?
The InChIKey is QJVMVRCNXMYORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4/c15-11-6-9(7-16)4-5-12(11)19-13-3-1-2-10(8-17)14(13)18/h1-6,19H,18H2.
What are the key properties of 2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile?
2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile has a molecular weight of 252.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-cyano-2-fluoroanilino)benzonitrile is sourced from PubChem (CID 104716975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).