3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide

C23H23FN2O2 — CID 154780300

IUPAC3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide
SMILESCc1ccc(Cn2cccc(NC(=O)CC(C)c3ccccc3F)c2=O)cc1
InChIInChI=1S/C23H23FN2O2/c1-16-9-11-18(12-10-16)15-26-13-5-8-21(23(26)28)25-22(27)14-17(2)19-6-3-4-7-20(19)24/h3-13,17H,14-15H2,1-2H3,(H,25,27)
InChIKeyROOLRKBMQOPRLI-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.48
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide

3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide (PubChem CID 154780300) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide
PubChem CID154780300
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide
SMILESCc1ccc(Cn2cccc(NC(=O)CC(C)c3ccccc3F)c2=O)cc1
InChIInChI=1S/C23H23FN2O2/c1-16-9-11-18(12-10-16)15-26-13-5-8-21(23(26)28)25-22(27)14-17(2)19-6-3-4-7-20(19)24/h3-13,17H,14-15H2,1-2H3,(H,25,27)
InChIKeyROOLRKBMQOPRLI-UHFFFAOYSA-N
XLogP4.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide (CID 154780300) is 3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide is Cc1ccc(Cn2cccc(NC(=O)CC(C)c3ccccc3F)c2=O)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide?
The InChIKey is ROOLRKBMQOPRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-16-9-11-18(12-10-16)15-26-13-5-8-21(23(26)28)25-22(27)14-17(2)19-6-3-4-7-20(19)24/h3-13,17H,14-15H2,1-2H3,(H,25,27).
What are the key properties of 3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide?
3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide has a molecular weight of 378.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide is sourced from PubChem (CID 154780300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).