5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide

C17H13FN2O4 — CID 94461770

IUPAC5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)c1ccc(COc2ccccc2F)o1
InChIInChI=1S/C17H13FN2O4/c18-12-3-1-2-4-15(12)23-10-11-5-6-16(24-11)17(22)20-13-9-19-8-7-14(13)21/h1-9H,10H2,(H,19,21)(H,20,22)
InChIKeyFXYOPDDRMSEZEU-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.94
Rot. Bonds5

About 5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide

5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide (PubChem CID 94461770) has the molecular formula C17H13FN2O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide
PubChem CID94461770
Molecular FormulaC17H13FN2O4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)c1ccc(COc2ccccc2F)o1
InChIInChI=1S/C17H13FN2O4/c18-12-3-1-2-4-15(12)23-10-11-5-6-16(24-11)17(22)20-13-9-19-8-7-14(13)21/h1-9H,10H2,(H,19,21)(H,20,22)
InChIKeyFXYOPDDRMSEZEU-UHFFFAOYSA-N
XLogP2.94
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylphenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455034
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
CID 19453386
N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19459728
5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide
CID 97078199
5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
N-(2-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35529212
N-[2-(difluoromethylsulfanyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43000512
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977
N-[(4-fluorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412826
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19415778

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide (CID 94461770) is 5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide is O=C(Nc1c[nH]ccc1=O)c1ccc(COc2ccccc2F)o1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide?
The InChIKey is FXYOPDDRMSEZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4/c18-12-3-1-2-4-15(12)23-10-11-5-6-16(24-11)17(22)20-13-9-19-8-7-14(13)21/h1-9H,10H2,(H,19,21)(H,20,22).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide?
5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide has a molecular weight of 328.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-N-(4-oxo-1H-pyridin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 94461770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).