5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide

C16H16FNO5 — CID 75488922

IUPAC5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide
SMILESCOCCNC(=O)c1cc(=O)c(OCc2ccccc2F)co1
InChIInChI=1S/C16H16FNO5/c1-21-7-6-18-16(20)14-8-13(19)15(10-23-14)22-9-11-4-2-3-5-12(11)17/h2-5,8,10H,6-7,9H2,1H3,(H,18,20)
InChIKeyMFLASDONAYSZBZ-UHFFFAOYSA-N
MW321.30 g/mol
LogP1.73
Rot. Bonds7

About 5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide

5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide (PubChem CID 75488922) has the molecular formula C16H16FNO5 and a molecular weight of 321.30 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide
PubChem CID75488922
Molecular FormulaC16H16FNO5
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide
SMILESCOCCNC(=O)c1cc(=O)c(OCc2ccccc2F)co1
InChIInChI=1S/C16H16FNO5/c1-21-7-6-18-16(20)14-8-13(19)15(10-23-14)22-9-11-4-2-3-5-12(11)17/h2-5,8,10H,6-7,9H2,1H3,(H,18,20)
InChIKeyMFLASDONAYSZBZ-UHFFFAOYSA-N
XLogP1.73
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide (CID 75488922) is 5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide is COCCNC(=O)c1cc(=O)c(OCc2ccccc2F)co1.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide?
The InChIKey is MFLASDONAYSZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5/c1-21-7-6-18-16(20)14-8-13(19)15(10-23-14)22-9-11-4-2-3-5-12(11)17/h2-5,8,10H,6-7,9H2,1H3,(H,18,20).
What are the key properties of 5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide?
5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide is sourced from PubChem (CID 75488922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).