N-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide

C13H10FNO4 — CID 27378223

IUPACN-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)Nc2ccc(F)cc2)cc1=O
InChIInChI=1S/C13H10FNO4/c1-18-12-7-19-11(6-10(12)16)13(17)15-9-4-2-8(14)3-5-9/h2-7H,1H3,(H,15,17)
InChIKeyHJKZKKALOCBJPG-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.04
Rot. Bonds3

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

N-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide (PubChem CID 27378223) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide
PubChem CID27378223
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC NameN-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)Nc2ccc(F)cc2)cc1=O
InChIInChI=1S/C13H10FNO4/c1-18-12-7-19-11(6-10(12)16)13(17)15-9-4-2-8(14)3-5-9/h2-7H,1H3,(H,15,17)
InChIKeyHJKZKKALOCBJPG-UHFFFAOYSA-N
XLogP2.04
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide (CID 27378223) is N-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide is COc1coc(C(=O)Nc2ccc(F)cc2)cc1=O.
What is the InChIKey of N-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide?
The InChIKey is HJKZKKALOCBJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c1-18-12-7-19-11(6-10(12)16)13(17)15-9-4-2-8(14)3-5-9/h2-7H,1H3,(H,15,17).
What are the key properties of N-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide?
N-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide has a molecular weight of 263.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 27378223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).