4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide

C14H18FNO3 — CID 110297981

IUPAC4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
SMILESCOCCCNC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-19-10-2-9-16-14(18)8-7-13(17)11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3,(H,16,18)
InChIKeyUQDXPOWDAXCATN-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.94
Rot. Bonds8

About 4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide

4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide (PubChem CID 110297981) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
PubChem CID110297981
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
SMILESCOCCCNC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-19-10-2-9-16-14(18)8-7-13(17)11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3,(H,16,18)
InChIKeyUQDXPOWDAXCATN-UHFFFAOYSA-N
XLogP1.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.94
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

5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 110298068
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
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110309532
4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
CID 108795606
4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110407748
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 21487435
2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 63792276

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide (CID 110297981) is 4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide is COCCCNC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide?
The InChIKey is UQDXPOWDAXCATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-19-10-2-9-16-14(18)8-7-13(17)11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3,(H,16,18).
What are the key properties of 4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide?
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide has a molecular weight of 267.30 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide is sourced from PubChem (CID 110297981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).