N-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide

C24H23F2N3O2 — CID 136858723

IUPACN-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NC(Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C24H23F2N3O2/c25-18-10-8-15(9-11-18)21(28-22(30)12-17-4-1-2-7-20(17)26)13-19-14-23(31)29-24(27-19)16-5-3-6-16/h1-2,4,7-11,14,16,21H,3,5-6,12-13H2,(H,28,30)(H,27,29,31)
InChIKeyBWSTUKLVJQXMBF-UHFFFAOYSA-N
MW423.46 g/mol
LogP3.96
Rot. Bonds7

About N-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide

N-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 136858723) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is N-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID136858723
Molecular FormulaC24H23F2N3O2
Molecular Weight423.46 g/mol
Exact Mass423.18
IUPAC NameN-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NC(Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C24H23F2N3O2/c25-18-10-8-15(9-11-18)21(28-22(30)12-17-4-1-2-7-20(17)26)13-19-14-23(31)29-24(27-19)16-5-3-6-16/h1-2,4,7-11,14,16,21H,3,5-6,12-13H2,(H,28,30)(H,27,29,31)
InChIKeyBWSTUKLVJQXMBF-UHFFFAOYSA-N
XLogP3.96
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136891448
2-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136891447
N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide
CID 136682030
N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 136858700
N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
CID 136858703
2-(2-fluorophenyl)-N-[(1S)-2-(6-oxo-2-pyridin-3-yl-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
CID 136682072
N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide
CID 136850324
2-(3-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136891445
N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide
CID 136891450
2-cyclohexyl-N-[(1R)-1-(4-fluorophenyl)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136681378
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide
CID 136816281

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide (CID 136858723) is N-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)NC(Cc1cc(=O)[nH]c(C2CCC2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is BWSTUKLVJQXMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2/c25-18-10-8-15(9-11-18)21(28-22(30)12-17-4-1-2-7-20(17)26)13-19-14-23(31)29-24(27-19)16-5-3-6-16/h1-2,4,7-11,14,16,21H,3,5-6,12-13H2,(H,28,30)(H,27,29,31).
What are the key properties of N-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide?
N-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 423.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 136858723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).