N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

C19H22FNO3 — CID 169411139

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCc2ccc(F)cc2)c(=O)o1
InChIInChI=1S/C19H22FNO3/c1-4-5-12(2)16-10-13(3)17(19(23)24-16)18(22)21-11-14-6-8-15(20)9-7-14/h6-10,12H,4-5,11H2,1-3H3,(H,21,22)
InChIKeyVOUWKHGPRAASLS-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.92
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (PubChem CID 169411139) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
PubChem CID169411139
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCc2ccc(F)cc2)c(=O)o1
InChIInChI=1S/C19H22FNO3/c1-4-5-12(2)16-10-13(3)17(19(23)24-16)18(22)21-11-14-6-8-15(20)9-7-14/h6-10,12H,4-5,11H2,1-3H3,(H,21,22)
InChIKeyVOUWKHGPRAASLS-UHFFFAOYSA-N
XLogP3.92
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (CID 169411139) is N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)NCc2ccc(F)cc2)c(=O)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The InChIKey is VOUWKHGPRAASLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-4-5-12(2)16-10-13(3)17(19(23)24-16)18(22)21-11-14-6-8-15(20)9-7-14/h6-10,12H,4-5,11H2,1-3H3,(H,21,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is sourced from PubChem (CID 169411139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).