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

C16H21FN2O3 — CID 110309532

IUPACN-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide
SMILESCC(=O)NCCCNC(=O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-12(20)18-10-3-11-19-16(22)5-2-4-15(21)13-6-8-14(17)9-7-13/h6-9H,2-5,10-11H2,1H3,(H,18,20)(H,19,22)
InChIKeyLPUQLESESCLZAH-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.82
Rot. Bonds9

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

N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide (PubChem CID 110309532) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide
PubChem CID110309532
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC NameN-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide
SMILESCC(=O)NCCCNC(=O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-12(20)18-10-3-11-19-16(22)5-2-4-15(21)13-6-8-14(17)9-7-13/h6-9H,2-5,10-11H2,1H3,(H,18,20)(H,19,22)
InChIKeyLPUQLESESCLZAH-UHFFFAOYSA-N
XLogP1.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
CID 110354627
5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 110298068
4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
CID 108795606
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184
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-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110306291
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
[2-(4-fluorophenyl)-2-oxoethyl] 6-acetamidohexanoate
CID 5186490

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide?
The IUPAC name of N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide (CID 110309532) is N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide.
What is the SMILES notation for N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide?
The canonical SMILES for N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide is CC(=O)NCCCNC(=O)CCCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide?
The InChIKey is LPUQLESESCLZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-12(20)18-10-3-11-19-16(22)5-2-4-15(21)13-6-8-14(17)9-7-13/h6-9H,2-5,10-11H2,1H3,(H,18,20)(H,19,22).
What are the key properties of N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide?
N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide has a molecular weight of 308.35 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide is sourced from PubChem (CID 110309532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).