4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide

C17H24FNO2 — CID 10402147

IUPAC4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
SMILESCCCCCCCNC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO2/c1-2-3-4-5-6-13-19-17(21)12-11-16(20)14-7-9-15(18)10-8-14/h7-10H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyKZZRMDKTKAXZJD-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.88
Rot. Bonds10

About 4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide

4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide (PubChem CID 10402147) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
PubChem CID10402147
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
SMILESCCCCCCCNC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO2/c1-2-3-4-5-6-13-19-17(21)12-11-16(20)14-7-9-15(18)10-8-14/h7-10H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyKZZRMDKTKAXZJD-UHFFFAOYSA-N
XLogP3.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533
4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
CID 108795606
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110309532
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]pentanamide
CID 108540679
5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 110298068
N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 9393708
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 91761757
N-[2-(2-ethoxyphenoxy)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 21487435
1-(4-fluorophenyl)-4-heptoxybutan-1-one
CID 43793694

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide (CID 10402147) is 4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide is CCCCCCCNC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide?
The InChIKey is KZZRMDKTKAXZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-2-3-4-5-6-13-19-17(21)12-11-16(20)14-7-9-15(18)10-8-14/h7-10H,2-6,11-13H2,1H3,(H,19,21).
What are the key properties of 4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide?
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide has a molecular weight of 293.38 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide is sourced from PubChem (CID 10402147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).