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

C18H20FNO3 — CID 18160306

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NCC1CCCO1
InChIInChI=1S/C18H20FNO3/c19-16-6-2-1-5-15(16)17-9-7-13(23-17)8-10-18(21)20-12-14-4-3-11-22-14/h1-2,5-7,9,14H,3-4,8,10-12H2,(H,20,21)
InChIKeyMWBKFZRNUSJFRN-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.31
Rot. Bonds6

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

3-[5-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 18160306) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID18160306
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NCC1CCCO1
InChIInChI=1S/C18H20FNO3/c19-16-6-2-1-5-15(16)17-9-7-13(23-17)8-10-18(21)20-12-14-4-3-11-22-14/h1-2,5-7,9,14H,3-4,8,10-12H2,(H,20,21)
InChIKeyMWBKFZRNUSJFRN-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

Analyze 3-[5-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 18160306) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide is O=C(CCc1ccc(-c2ccccc2F)o1)NCC1CCCO1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is MWBKFZRNUSJFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c19-16-6-2-1-5-15(16)17-9-7-13(23-17)8-10-18(21)20-12-14-4-3-11-22-14/h1-2,5-7,9,14H,3-4,8,10-12H2,(H,20,21).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[5-(2-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-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 18160306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).