5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide

C15H20FNO3 — CID 110298068

IUPAC5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
SMILESCOCCCNC(=O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-20-11-3-10-17-15(19)5-2-4-14(18)12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3,(H,17,19)
InChIKeyCMYLOAUCRJWLIB-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.33
Rot. Bonds9

About 5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide

5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide (PubChem CID 110298068) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
PubChem CID110298068
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
SMILESCOCCCNC(=O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-20-11-3-10-17-15(19)5-2-4-14(18)12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3,(H,17,19)
InChIKeyCMYLOAUCRJWLIB-UHFFFAOYSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110309532
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533
4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 94041532
2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 63792276
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
CID 108795606
4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110407748
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110615942
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide (CID 110298068) is 5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide is COCCCNC(=O)CCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide?
The InChIKey is CMYLOAUCRJWLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-20-11-3-10-17-15(19)5-2-4-14(18)12-6-8-13(16)9-7-12/h6-9H,2-5,10-11H2,1H3,(H,17,19).
What are the key properties of 5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide?
5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide has a molecular weight of 281.33 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide is sourced from PubChem (CID 110298068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).