3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide

C18H20FNO3 — CID 22587443

IUPAC3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc(-c2ccc(F)cc2)o1)NCC1CCCO1
InChIInChI=1S/C18H20FNO3/c19-14-5-3-13(4-6-14)17-9-7-15(23-17)8-10-18(21)20-12-16-2-1-11-22-16/h3-7,9,16H,1-2,8,10-12H2,(H,20,21)
InChIKeyMQDQOWBIRLVSJC-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.31
Rot. Bonds6

About 3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 22587443) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID22587443
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc(-c2ccc(F)cc2)o1)NCC1CCCO1
InChIInChI=1S/C18H20FNO3/c19-14-5-3-13(4-6-14)17-9-7-15(23-17)8-10-18(21)20-12-16-2-1-11-22-16/h3-7,9,16H,1-2,8,10-12H2,(H,20,21)
InChIKeyMQDQOWBIRLVSJC-UHFFFAOYSA-N
XLogP3.31
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 22587443) is 3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide is O=C(CCc1ccc(-c2ccc(F)cc2)o1)NCC1CCCO1.
What is the InChIKey of 3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is MQDQOWBIRLVSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c19-14-5-3-13(4-6-14)17-9-7-15(23-17)8-10-18(21)20-12-16-2-1-11-22-16/h3-7,9,16H,1-2,8,10-12H2,(H,20,21).
What are the key properties of 3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 317.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 22587443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).