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

C21H18FNO4 — CID 42227011

IUPACN-[2-(4-fluorophenyl)ethyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cc(=O)c(OCc2ccccc2)co1
InChIInChI=1S/C21H18FNO4/c22-17-8-6-15(7-9-17)10-11-23-21(25)19-12-18(24)20(14-27-19)26-13-16-4-2-1-3-5-16/h1-9,12,14H,10-11,13H2,(H,23,25)
InChIKeyHXKWIQCMTJBUTE-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.33
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide (PubChem CID 42227011) has the molecular formula C21H18FNO4 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
PubChem CID42227011
Molecular FormulaC21H18FNO4
Molecular Weight367.38 g/mol
Exact Mass367.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cc(=O)c(OCc2ccccc2)co1
InChIInChI=1S/C21H18FNO4/c22-17-8-6-15(7-9-17)10-11-23-21(25)19-12-18(24)20(14-27-19)26-13-16-4-2-1-3-5-16/h1-9,12,14H,10-11,13H2,(H,23,25)
InChIKeyHXKWIQCMTJBUTE-UHFFFAOYSA-N
XLogP3.33
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide (CID 42227011) is N-[2-(4-fluorophenyl)ethyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide is O=C(NCCc1ccc(F)cc1)c1cc(=O)c(OCc2ccccc2)co1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The InChIKey is HXKWIQCMTJBUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO4/c22-17-8-6-15(7-9-17)10-11-23-21(25)19-12-18(24)20(14-27-19)26-13-16-4-2-1-3-5-16/h1-9,12,14H,10-11,13H2,(H,23,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide is sourced from PubChem (CID 42227011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).