4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide

C15H18FNO3 — CID 47187587

IUPAC4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCC1CCOC1
InChIInChI=1S/C15H18FNO3/c16-13-3-1-12(2-4-13)14(18)5-6-15(19)17-9-11-7-8-20-10-11/h1-4,11H,5-10H2,(H,17,19)
InChIKeyPJHKDMWSMDZZAQ-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.94
Rot. Bonds6

About 4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide

4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide (PubChem CID 47187587) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide
PubChem CID47187587
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCC1CCOC1
InChIInChI=1S/C15H18FNO3/c16-13-3-1-12(2-4-13)14(18)5-6-15(19)17-9-11-7-8-20-10-11/h1-4,11H,5-10H2,(H,17,19)
InChIKeyPJHKDMWSMDZZAQ-UHFFFAOYSA-N
XLogP1.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide?
The IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide (CID 47187587) is 4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide is O=C(CCC(=O)c1ccc(F)cc1)NCC1CCOC1.
What is the InChIKey of 4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide?
The InChIKey is PJHKDMWSMDZZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-13-3-1-12(2-4-13)14(18)5-6-15(19)17-9-11-7-8-20-10-11/h1-4,11H,5-10H2,(H,17,19).
What are the key properties of 4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide?
4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide has a molecular weight of 279.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-oxo-N-(oxolan-3-ylmethyl)butanamide is sourced from PubChem (CID 47187587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).