2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C15H14F3N3O2 — CID 47029993

IUPAC2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cn1cccnc1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O2/c1-10(11-3-5-12(6-4-11)15(16,17)18)20-13(22)9-21-8-2-7-19-14(21)23/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyGAPGYZKCKWRIHE-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.14
Rot. Bonds4

About 2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 47029993) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID47029993
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cn1cccnc1=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O2/c1-10(11-3-5-12(6-4-11)15(16,17)18)20-13(22)9-21-8-2-7-19-14(21)23/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyGAPGYZKCKWRIHE-UHFFFAOYSA-N
XLogP2.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 47029993) is 2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide is CC(NC(=O)Cn1cccnc1=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is GAPGYZKCKWRIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-10(11-3-5-12(6-4-11)15(16,17)18)20-13(22)9-21-8-2-7-19-14(21)23/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of 2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 325.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 47029993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).