N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide

C20H14FNO6 — CID 42227255

IUPACN-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C20H14FNO6/c21-13-3-1-12(2-4-13)9-25-19-10-26-18(8-15(19)23)20(24)22-14-5-6-16-17(7-14)28-11-27-16/h1-8,10H,9,11H2,(H,22,24)
InChIKeyGIJAYQYEEYHFBA-UHFFFAOYSA-N
MW383.33 g/mol
LogP3.34
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide (PubChem CID 42227255) has the molecular formula C20H14FNO6 and a molecular weight of 383.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
PubChem CID42227255
Molecular FormulaC20H14FNO6
Molecular Weight383.33 g/mol
Exact Mass383.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C20H14FNO6/c21-13-3-1-12(2-4-13)9-25-19-10-26-18(8-15(19)23)20(24)22-14-5-6-16-17(7-14)28-11-27-16/h1-8,10H,9,11H2,(H,22,24)
InChIKeyGIJAYQYEEYHFBA-UHFFFAOYSA-N
XLogP3.34
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42227224
methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate
CID 42227239
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 27648507
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189807
5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide
CID 42227199
5-(1,3-benzodioxol-5-ylcarbamoyl)furan-3-carboxylic acid
CID 104606905
1-(1,3-benzodioxol-5-yl)-3-(4-fluoroanilino)urea
CID 10589488
N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 26908303
N-(2-fluorophenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45494955
3-N-(1,3-benzodioxol-5-yl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054717
2-[(4-fluorophenyl)methoxy]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153524
1-(1,3-benzodioxol-5-yl)-3-[1,3-bis(4-fluorophenyl)propan-2-yl]urea
CID 46286172

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide (CID 42227255) is N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(=O)c(OCc2ccc(F)cc2)co1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The InChIKey is GIJAYQYEEYHFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO6/c21-13-3-1-12(2-4-13)9-25-19-10-26-18(8-15(19)23)20(24)22-14-5-6-16-17(7-14)28-11-27-16/h1-8,10H,9,11H2,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide has a molecular weight of 383.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 42227255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).