3-(2-fluoroanilino)-1-phenylbut-3-en-1-one

C16H14FNO — CID 2267713

IUPAC3-(2-fluoroanilino)-1-phenylbut-3-en-1-one
SMILESC=C(CC(=O)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C16H14FNO/c1-12(18-15-10-6-5-9-14(15)17)11-16(19)13-7-3-2-4-8-13/h2-10,18H,1,11H2
InChIKeyXLUZFGNUALIWGK-UHFFFAOYSA-N
MW255.29 g/mol
LogP4.02
Rot. Bonds5

About 3-(2-fluoroanilino)-1-phenylbut-3-en-1-one

3-(2-fluoroanilino)-1-phenylbut-3-en-1-one (PubChem CID 2267713) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 3-(2-fluoroanilino)-1-phenylbut-3-en-1-one.

Molecular Properties

Compound Name3-(2-fluoroanilino)-1-phenylbut-3-en-1-one
PubChem CID2267713
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name3-(2-fluoroanilino)-1-phenylbut-3-en-1-one
SMILESC=C(CC(=O)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C16H14FNO/c1-12(18-15-10-6-5-9-14(15)17)11-16(19)13-7-3-2-4-8-13/h2-10,18H,1,11H2
InChIKeyXLUZFGNUALIWGK-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluoroanilino)-1-phenylbut-3-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylanilino)-1-(4-methylphenyl)but-3-en-1-one
CID 2291468
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
4-methyl-1-phenylpent-4-ene-1,3-dione
CID 15683513
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
N'-(2-fluorophenyl)propanediamide
CID 70002209
trans-(1R,2R)-1-N,2-N-bis(2-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 828858
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
N-(2-fluorophenyl)-N'-methyl-N'-phenyloxamide
CID 108520782
N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
CID 108520821
N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514248
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroanilino)-1-phenylbut-3-en-1-one?
The IUPAC name of 3-(2-fluoroanilino)-1-phenylbut-3-en-1-one (CID 2267713) is 3-(2-fluoroanilino)-1-phenylbut-3-en-1-one.
What is the SMILES notation for 3-(2-fluoroanilino)-1-phenylbut-3-en-1-one?
The canonical SMILES for 3-(2-fluoroanilino)-1-phenylbut-3-en-1-one is C=C(CC(=O)c1ccccc1)Nc1ccccc1F.
What is the InChIKey of 3-(2-fluoroanilino)-1-phenylbut-3-en-1-one?
The InChIKey is XLUZFGNUALIWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-12(18-15-10-6-5-9-14(15)17)11-16(19)13-7-3-2-4-8-13/h2-10,18H,1,11H2.
What are the key properties of 3-(2-fluoroanilino)-1-phenylbut-3-en-1-one?
3-(2-fluoroanilino)-1-phenylbut-3-en-1-one has a molecular weight of 255.29 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroanilino)-1-phenylbut-3-en-1-one is sourced from PubChem (CID 2267713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).