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

C20H15F2NO4 — CID 42227193

IUPAC5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-4-oxopyran-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C20H15F2NO4/c21-15-5-1-13(2-6-15)10-23-20(25)18-9-17(24)19(12-27-18)26-11-14-3-7-16(22)8-4-14/h1-9,12H,10-11H2,(H,23,25)
InChIKeyWKQOULXQRHDKIJ-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.43
Rot. Bonds6

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

5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-4-oxopyran-2-carboxamide (PubChem CID 42227193) has the molecular formula C20H15F2NO4 and a molecular weight of 371.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-4-oxopyran-2-carboxamide
PubChem CID42227193
Molecular FormulaC20H15F2NO4
Molecular Weight371.34 g/mol
Exact Mass371.10
IUPAC Name5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-4-oxopyran-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C20H15F2NO4/c21-15-5-1-13(2-6-15)10-23-20(25)18-9-17(24)19(12-27-18)26-11-14-3-7-16(22)8-4-14/h1-9,12H,10-11H2,(H,23,25)
InChIKeyWKQOULXQRHDKIJ-UHFFFAOYSA-N
XLogP3.43
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-4-oxopyran-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-4-oxopyran-2-carboxamide (CID 42227193) is 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-4-oxopyran-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(=O)c(OCc2ccc(F)cc2)co1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-4-oxopyran-2-carboxamide?
The InChIKey is WKQOULXQRHDKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO4/c21-15-5-1-13(2-6-15)10-23-20(25)18-9-17(24)19(12-27-18)26-11-14-3-7-16(22)8-4-14/h1-9,12H,10-11H2,(H,23,25).
What are the key properties of 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-4-oxopyran-2-carboxamide?
5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-4-oxopyran-2-carboxamide has a molecular weight of 371.34 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 42227193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).