4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide

C19H20FNO4 — CID 8934923

IUPAC4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
SMILESCOc1ccc(OCCNC(=O)CCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO4/c1-24-16-6-8-17(9-7-16)25-13-12-21-19(23)11-10-18(22)14-2-4-15(20)5-3-14/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyKISQQXUQJIZQPI-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.99
Rot. Bonds9

About 4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide

4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide (PubChem CID 8934923) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
PubChem CID8934923
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
SMILESCOc1ccc(OCCNC(=O)CCC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO4/c1-24-16-6-8-17(9-7-16)25-13-12-21-19(23)11-10-18(22)14-2-4-15(20)5-3-14/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyKISQQXUQJIZQPI-UHFFFAOYSA-N
XLogP2.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide 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

N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935418
N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 38451172
4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide
CID 110418794
N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 21487435
N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110415100
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide (CID 8934923) is 4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide is COc1ccc(OCCNC(=O)CCC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide?
The InChIKey is KISQQXUQJIZQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-24-16-6-8-17(9-7-16)25-13-12-21-19(23)11-10-18(22)14-2-4-15(20)5-3-14/h2-9H,10-13H2,1H3,(H,21,23).
What are the key properties of 4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide?
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide has a molecular weight of 345.37 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide is sourced from PubChem (CID 8934923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).