3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide

C18H22FNO2 — CID 46554729

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H22FNO2/c1-4-18(2,3)20-17(21)12-10-13-9-11-16(22-13)14-7-5-6-8-15(14)19/h5-9,11H,4,10,12H2,1-3H3,(H,20,21)
InChIKeyUPZHLXGZHVOAGZ-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.32
Rot. Bonds6

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide

3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 46554729) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide
PubChem CID46554729
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H22FNO2/c1-4-18(2,3)20-17(21)12-10-13-9-11-16(22-13)14-7-5-6-8-15(14)19/h5-9,11H,4,10,12H2,1-3H3,(H,20,21)
InChIKeyUPZHLXGZHVOAGZ-UHFFFAOYSA-N
XLogP4.32
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide;hydrochloride
CID 119607048
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
N-cyclohexyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 9243405
N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119496957
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 18163857
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120827866
[1-(tert-butylamino)-1-oxopropan-2-yl] 3-[5-(2-fluorophenyl)furan-2-yl]propanoate
CID 42920806
4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229769
4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]benzamide
CID 17430904
N-[(4-fluoro-3-methylphenyl)methyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 16580078

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide (CID 46554729) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is UPZHLXGZHVOAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-4-18(2,3)20-17(21)12-10-13-9-11-16(22-13)14-7-5-6-8-15(14)19/h5-9,11H,4,10,12H2,1-3H3,(H,20,21).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 303.38 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 46554729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).