N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide

C20H16FNO4 — CID 42226910

IUPACN-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(=O)c(OCc2ccccc2)co1
InChIInChI=1S/C20H16FNO4/c21-16-8-6-14(7-9-16)11-22-20(24)18-10-17(23)19(13-26-18)25-12-15-4-2-1-3-5-15/h1-10,13H,11-12H2,(H,22,24)
InChIKeyHXPBXBSFWLQPLW-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.29
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide

N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide (PubChem CID 42226910) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
PubChem CID42226910
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC NameN-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(=O)c(OCc2ccccc2)co1
InChIInChI=1S/C20H16FNO4/c21-16-8-6-14(7-9-16)11-22-20(24)18-10-17(23)19(13-26-18)25-12-15-4-2-1-3-5-15/h1-10,13H,11-12H2,(H,22,24)
InChIKeyHXPBXBSFWLQPLW-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-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide (CID 42226910) is N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(=O)c(OCc2ccccc2)co1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The InChIKey is HXPBXBSFWLQPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c21-16-8-6-14(7-9-16)11-22-20(24)18-10-17(23)19(13-26-18)25-12-15-4-2-1-3-5-15/h1-10,13H,11-12H2,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
N-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-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-[(4-fluorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide is sourced from PubChem (CID 42226910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).