5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

C17H18FNO4 — CID 2941349

IUPAC5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C17H18FNO4/c18-12-3-5-13(6-4-12)22-11-15-7-8-16(23-15)17(20)19-10-14-2-1-9-21-14/h3-8,14H,1-2,9-11H2,(H,19,20)
InChIKeyPYLVEUSXESPSCF-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.91
Rot. Bonds6

About 5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (PubChem CID 2941349) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
PubChem CID2941349
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C17H18FNO4/c18-12-3-5-13(6-4-12)22-11-15-7-8-16(23-15)17(20)19-10-14-2-1-9-21-14/h3-8,14H,1-2,9-11H2,(H,19,20)
InChIKeyPYLVEUSXESPSCF-UHFFFAOYSA-N
XLogP2.91
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (CID 2941349) is 5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is O=C(NCC1CCCO1)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is PYLVEUSXESPSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c18-12-3-5-13(6-4-12)22-11-15-7-8-16(23-15)17(20)19-10-14-2-1-9-21-14/h3-8,14H,1-2,9-11H2,(H,19,20).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 2941349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).