1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone

C16H15FN2O — CID 155400027

IUPAC1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone
SMILESC=C(Nc1ccc(F)cc1N)c1ccc(C(C)=O)cc1
InChIInChI=1S/C16H15FN2O/c1-10(12-3-5-13(6-4-12)11(2)20)19-16-8-7-14(17)9-15(16)18/h3-9,19H,1,18H2,2H3
InChIKeyXWRYRUSYZXLLSO-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.69
Rot. Bonds4

About 1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone

1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone (PubChem CID 155400027) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone
PubChem CID155400027
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone
SMILESC=C(Nc1ccc(F)cc1N)c1ccc(C(C)=O)cc1
InChIInChI=1S/C16H15FN2O/c1-10(12-3-5-13(6-4-12)11(2)20)19-16-8-7-14(17)9-15(16)18/h3-9,19H,1,18H2,2H3
InChIKeyXWRYRUSYZXLLSO-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
1-[4-(2,4-difluoroanilino)phenyl]ethanone
CID 82536666
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
N-(2-amino-4-fluorophenyl)pyridine-4-carboxamide
CID 16772506
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-2,2-dimethylbutanamide
CID 28691399
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853
[2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid
CID 22224953
1-(4-fluorophenyl)ethanone;methanol
CID 160697688

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone (CID 155400027) is 1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone is C=C(Nc1ccc(F)cc1N)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone?
The InChIKey is XWRYRUSYZXLLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10(12-3-5-13(6-4-12)11(2)20)19-16-8-7-14(17)9-15(16)18/h3-9,19H,1,18H2,2H3.
What are the key properties of 1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone?
1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone has a molecular weight of 270.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-amino-4-fluoroanilino)ethenyl]phenyl]ethanone is sourced from PubChem (CID 155400027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).