5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide

C19H14FNO4 — CID 86206858

IUPAC5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(=O)c(OCc2ccccc2F)co1
InChIInChI=1S/C19H14FNO4/c20-15-9-5-4-6-13(15)11-24-18-12-25-17(10-16(18)22)19(23)21-14-7-2-1-3-8-14/h1-10,12H,11H2,(H,21,23)
InChIKeyPDSDSYUAUCTEJU-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.61
Rot. Bonds5

About 5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide

5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide (PubChem CID 86206858) has the molecular formula C19H14FNO4 and a molecular weight of 339.32 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide
PubChem CID86206858
Molecular FormulaC19H14FNO4
Molecular Weight339.32 g/mol
Exact Mass339.09
IUPAC Name5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(=O)c(OCc2ccccc2F)co1
InChIInChI=1S/C19H14FNO4/c20-15-9-5-4-6-13(15)11-24-18-12-25-17(10-16(18)22)19(23)21-14-7-2-1-3-8-14/h1-10,12H,11H2,(H,21,23)
InChIKeyPDSDSYUAUCTEJU-UHFFFAOYSA-N
XLogP3.61
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45494955
N-(4-fluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42227224
4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide
CID 42227009
methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate
CID 42227239
N-(2-carbamoylphenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 42227017
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42227255
5-[(3,4-dichlorophenyl)methoxy]-4-oxo-N-pyridin-3-ylpyran-2-carboxamide
CID 45493609
5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide
CID 42227199
5-(2-anilino-2-oxoethoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 30864830
5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
CID 7178642
[4-oxo-6-(phenylcarbamoyl)pyran-3-yl] 4-methylbenzenesulfonate
CID 101485712
4-oxo-N-phenyl-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442472

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide (CID 86206858) is 5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide is O=C(Nc1ccccc1)c1cc(=O)c(OCc2ccccc2F)co1.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide?
The InChIKey is PDSDSYUAUCTEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO4/c20-15-9-5-4-6-13(15)11-24-18-12-25-17(10-16(18)22)19(23)21-14-7-2-1-3-8-14/h1-10,12H,11H2,(H,21,23).
What are the key properties of 5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide?
5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide is sourced from PubChem (CID 86206858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).