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

C17H20FNO2 — CID 18106044

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H20FNO2/c1-12(2)11-19-17(20)10-8-13-7-9-16(21-13)14-5-3-4-6-15(14)18/h3-7,9,12H,8,10-11H2,1-2H3,(H,19,20)
InChIKeyFPHJHXJXGCVFGV-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.79
Rot. Bonds6

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

3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpropyl)propanamide (PubChem CID 18106044) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpropyl)propanamide
PubChem CID18106044
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H20FNO2/c1-12(2)11-19-17(20)10-8-13-7-9-16(21-13)14-5-3-4-6-15(14)18/h3-7,9,12H,8,10-11H2,1-2H3,(H,19,20)
InChIKeyFPHJHXJXGCVFGV-UHFFFAOYSA-N
XLogP3.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpropyl)propanamide (CID 18106044) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is FPHJHXJXGCVFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(2)11-19-17(20)10-8-13-7-9-16(21-13)14-5-3-4-6-15(14)18/h3-7,9,12H,8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpropyl)propanamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 289.35 g/mol, XLogP of 3.79, 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-methylpropyl)propanamide is sourced from PubChem (CID 18106044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).