N-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide

C20H16FNO4 — CID 42227191

IUPACN-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C20H16FNO4/c21-16-8-6-15(7-9-16)12-25-19-13-26-18(10-17(19)23)20(24)22-11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,22,24)
InChIKeyJCHNFXYRJCEPQX-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.29
Rot. Bonds6

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

N-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide (PubChem CID 42227191) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
PubChem CID42227191
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC NameN-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(=O)c(OCc2ccc(F)cc2)co1
InChIInChI=1S/C20H16FNO4/c21-16-8-6-15(7-9-16)12-25-19-13-26-18(10-17(19)23)20(24)22-11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,22,24)
InChIKeyJCHNFXYRJCEPQX-UHFFFAOYSA-N
XLogP3.29
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The IUPAC name of N-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide (CID 42227191) is N-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The canonical SMILES for N-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide is O=C(NCc1ccccc1)c1cc(=O)c(OCc2ccc(F)cc2)co1.
What is the InChIKey of N-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
The InChIKey is JCHNFXYRJCEPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c21-16-8-6-15(7-9-16)12-25-19-13-26-18(10-17(19)23)20(24)22-11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,22,24).
What are the key properties of N-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide?
N-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 42227191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).