4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide

C18H18FNO4 — CID 110311296

IUPAC4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NOCCOc1ccccc1
InChIInChI=1S/C18H18FNO4/c19-15-8-6-14(7-9-15)17(21)10-11-18(22)20-24-13-12-23-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,22)
InChIKeyAMBYVMGREBQZIT-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.92
Rot. Bonds9

About 4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide

4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide (PubChem CID 110311296) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide
PubChem CID110311296
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NOCCOc1ccccc1
InChIInChI=1S/C18H18FNO4/c19-15-8-6-14(7-9-15)17(21)10-11-18(22)20-24-13-12-23-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,22)
InChIKeyAMBYVMGREBQZIT-UHFFFAOYSA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide?
The IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide (CID 110311296) is 4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide is O=C(CCC(=O)c1ccc(F)cc1)NOCCOc1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide?
The InChIKey is AMBYVMGREBQZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c19-15-8-6-14(7-9-15)17(21)10-11-18(22)20-24-13-12-23-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,22).
What are the key properties of 4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide?
4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide has a molecular weight of 331.34 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethoxy)butanamide is sourced from PubChem (CID 110311296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).