2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide

C14H20FNO — CID 890242

IUPAC2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-3-12(4-2)14(17)16-10-9-11-5-7-13(15)8-6-11/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyKTQWIEXYUPUFHA-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.92
Rot. Bonds6

About 2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide

2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide (PubChem CID 890242) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide
PubChem CID890242
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-3-12(4-2)14(17)16-10-9-11-5-7-13(15)8-6-11/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyKTQWIEXYUPUFHA-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide (CID 890242) is 2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide is CCC(CC)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide?
The InChIKey is KTQWIEXYUPUFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-12(4-2)14(17)16-10-9-11-5-7-13(15)8-6-11/h5-8,12H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide?
2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide has a molecular weight of 237.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 890242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).