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

C14H17FN2O3 — CID 108795606

IUPAC4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
SMILESO=CNCCCNC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c15-12-4-2-11(3-5-12)13(19)6-7-14(20)17-9-1-8-16-10-18/h2-5,10H,1,6-9H2,(H,16,18)(H,17,20)
InChIKeyARDQLILHNWZESB-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.04
Rot. Bonds9

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

4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide (PubChem CID 108795606) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
PubChem CID108795606
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
SMILESO=CNCCCNC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c15-12-4-2-11(3-5-12)13(19)6-7-14(20)17-9-1-8-16-10-18/h2-5,10H,1,6-9H2,(H,16,18)(H,17,20)
InChIKeyARDQLILHNWZESB-UHFFFAOYSA-N
XLogP1.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110309532
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
N-(3-butoxypropyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 108795533
5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 110298068
N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide
CID 110463360
4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide
CID 26635879
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 91761757
N-[2-(4-fluorophenyl)-2-oxoethyl]formamide;dihydrochloride
CID 87586047
N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 119620648

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide (CID 108795606) is 4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide is O=CNCCCNC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide?
The InChIKey is ARDQLILHNWZESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-12-4-2-11(3-5-12)13(19)6-7-14(20)17-9-1-8-16-10-18/h2-5,10H,1,6-9H2,(H,16,18)(H,17,20).
What are the key properties of 4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide?
4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide has a molecular weight of 280.30 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide is sourced from PubChem (CID 108795606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).