N-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide

C20H23FN2O3 — CID 143668358

IUPACN-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide
SMILESCCC(C(=O)NC(C)C(=O)CF)c1c(C)ccn(-c2ccccc2)c1=O
InChIInChI=1S/C20H23FN2O3/c1-4-16(19(25)22-14(3)17(24)12-21)18-13(2)10-11-23(20(18)26)15-8-6-5-7-9-15/h5-11,14,16H,4,12H2,1-3H3,(H,22,25)
InChIKeyRJAVIWMAYXROAJ-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.68
Rot. Bonds7

About N-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide

N-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide (PubChem CID 143668358) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide.

Molecular Properties

Compound NameN-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide
PubChem CID143668358
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide
SMILESCCC(C(=O)NC(C)C(=O)CF)c1c(C)ccn(-c2ccccc2)c1=O
InChIInChI=1S/C20H23FN2O3/c1-4-16(19(25)22-14(3)17(24)12-21)18-13(2)10-11-23(20(18)26)15-8-6-5-7-9-15/h5-11,14,16H,4,12H2,1-3H3,(H,22,25)
InChIKeyRJAVIWMAYXROAJ-UHFFFAOYSA-N
XLogP2.68
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide?
The IUPAC name of N-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide (CID 143668358) is N-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide.
What is the SMILES notation for N-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide?
The canonical SMILES for N-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide is CCC(C(=O)NC(C)C(=O)CF)c1c(C)ccn(-c2ccccc2)c1=O.
What is the InChIKey of N-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide?
The InChIKey is RJAVIWMAYXROAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-4-16(19(25)22-14(3)17(24)12-21)18-13(2)10-11-23(20(18)26)15-8-6-5-7-9-15/h5-11,14,16H,4,12H2,1-3H3,(H,22,25).
What are the key properties of N-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide?
N-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide has a molecular weight of 358.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-oxobutan-2-yl)-2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanamide is sourced from PubChem (CID 143668358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).