4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide

C19H20FNO2 — CID 110414975

IUPAC4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide
SMILESO=C(CCC(=O)c1ccccc1F)NCCCc1ccccc1
InChIInChI=1S/C19H20FNO2/c20-17-11-5-4-10-16(17)18(22)12-13-19(23)21-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11H,6,9,12-14H2,(H,21,23)
InChIKeyFQJNJDPRSMWEFA-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.54
Rot. Bonds8

About 4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide

4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide (PubChem CID 110414975) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide
PubChem CID110414975
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide
SMILESO=C(CCC(=O)c1ccccc1F)NCCCc1ccccc1
InChIInChI=1S/C19H20FNO2/c20-17-11-5-4-10-16(17)18(22)12-13-19(23)21-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11H,6,9,12-14H2,(H,21,23)
InChIKeyFQJNJDPRSMWEFA-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.54
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

4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
CID 110411259
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110407748
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110612052
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide
CID 65290908
4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
CID 110607164
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
CID 113120960

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide?
The IUPAC name of 4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide (CID 110414975) is 4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide?
The canonical SMILES for 4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide is O=C(CCC(=O)c1ccccc1F)NCCCc1ccccc1.
What is the InChIKey of 4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide?
The InChIKey is FQJNJDPRSMWEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-17-11-5-4-10-16(17)18(22)12-13-19(23)21-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11H,6,9,12-14H2,(H,21,23).
What are the key properties of 4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide?
4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide has a molecular weight of 313.37 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 110414975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).