3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide

C15H20FNO — CID 175006765

IUPAC3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide
SMILESCC(C)C(C(N)=O)=C(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H20FNO/c1-9(2)13(14(10(3)4)15(17)18)11-5-7-12(16)8-6-11/h5-10H,1-4H3,(H2,17,18)
InChIKeyIJXGVEFBZLKFNG-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.38
Rot. Bonds4

About 3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide

3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide (PubChem CID 175006765) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide
PubChem CID175006765
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide
SMILESCC(C)C(C(N)=O)=C(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C15H20FNO/c1-9(2)13(14(10(3)4)15(17)18)11-5-7-12(16)8-6-11/h5-10H,1-4H3,(H2,17,18)
InChIKeyIJXGVEFBZLKFNG-UHFFFAOYSA-N
XLogP3.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide 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

4-methyl-2-propan-2-yl-3-thiophen-3-ylpent-2-enamide
CID 174444855
1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
CID 158795498
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
chloromethane;4-fluorobenzamide
CID 158476805
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one
CID 63654138
methyl 2-[(4-fluorophenyl)-iodomethylidene]-4-methyl-3-oxopentanoate
CID 173371193
2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
CID 116594008
(2S)-2-amino-1-(4-fluorophenyl)butan-1-one
CID 6940476
2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride
CID 174290426
tert-butyl 3-(4-fluorophenyl)-2-methyl-3-oxopropanoate
CID 66337972
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 16540114

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide (CID 175006765) is 3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide is CC(C)C(C(N)=O)=C(c1ccc(F)cc1)C(C)C.
What is the InChIKey of 3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide?
The InChIKey is IJXGVEFBZLKFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-9(2)13(14(10(3)4)15(17)18)11-5-7-12(16)8-6-11/h5-10H,1-4H3,(H2,17,18).
What are the key properties of 3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide?
3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide has a molecular weight of 249.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methyl-2-propan-2-ylpent-2-enamide is sourced from PubChem (CID 175006765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).