N-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide

C13H9F2NO4 — CID 27378229

IUPACN-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)Nc2ccc(F)c(F)c2)cc1=O
InChIInChI=1S/C13H9F2NO4/c1-19-12-6-20-11(5-10(12)17)13(18)16-7-2-3-8(14)9(15)4-7/h2-6H,1H3,(H,16,18)
InChIKeyWNADNMJHLFZKNY-UHFFFAOYSA-N
MW281.21 g/mol
LogP2.18
Rot. Bonds3

About N-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide

N-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide (PubChem CID 27378229) has the molecular formula C13H9F2NO4 and a molecular weight of 281.21 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide
PubChem CID27378229
Molecular FormulaC13H9F2NO4
Molecular Weight281.21 g/mol
Exact Mass281.05
IUPAC NameN-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)Nc2ccc(F)c(F)c2)cc1=O
InChIInChI=1S/C13H9F2NO4/c1-19-12-6-20-11(5-10(12)17)13(18)16-7-2-3-8(14)9(15)4-7/h2-6H,1H3,(H,16,18)
InChIKeyWNADNMJHLFZKNY-UHFFFAOYSA-N
XLogP2.18
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide (CID 27378229) is N-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide is COc1coc(C(=O)Nc2ccc(F)c(F)c2)cc1=O.
What is the InChIKey of N-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide?
The InChIKey is WNADNMJHLFZKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO4/c1-19-12-6-20-11(5-10(12)17)13(18)16-7-2-3-8(14)9(15)4-7/h2-6H,1H3,(H,16,18).
What are the key properties of N-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide?
N-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide has a molecular weight of 281.21 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-methoxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 27378229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).