5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide

C22H20FNO4 — CID 42227209

IUPAC5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C22H20FNO4/c23-18-10-8-17(9-11-18)14-27-21-15-28-20(13-19(21)25)22(26)24-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,15H,4,7,12,14H2,(H,24,26)
InChIKeyOFWXBMSNGFQWEE-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.72
Rot. Bonds8

About 5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide

5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide (PubChem CID 42227209) has the molecular formula C22H20FNO4 and a molecular weight of 381.40 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide
PubChem CID42227209
Molecular FormulaC22H20FNO4
Molecular Weight381.40 g/mol
Exact Mass381.14
IUPAC Name5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C22H20FNO4/c23-18-10-8-17(9-11-18)14-27-21-15-28-20(13-19(21)25)22(26)24-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,15H,4,7,12,14H2,(H,24,26)
InChIKeyOFWXBMSNGFQWEE-UHFFFAOYSA-N
XLogP3.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide (CID 42227209) is 5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide is O=C(NCCCc1ccccc1)c1cc(=O)c(OCc2ccc(F)cc2)co1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide?
The InChIKey is OFWXBMSNGFQWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO4/c23-18-10-8-17(9-11-18)14-27-21-15-28-20(13-19(21)25)22(26)24-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,15H,4,7,12,14H2,(H,24,26).
What are the key properties of 5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide?
5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-4-oxo-N-(3-phenylpropyl)pyran-2-carboxamide is sourced from PubChem (CID 42227209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).