N-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide

C19H15N3O3 — CID 2802820

IUPACN-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide
SMILESO=C(NC(C(=O)c1ccccc1)n1cnccc1=O)c1ccccc1
InChIInChI=1S/C19H15N3O3/c23-16-11-12-20-13-22(16)18(17(24)14-7-3-1-4-8-14)21-19(25)15-9-5-2-6-10-15/h1-13,18H,(H,21,25)
InChIKeyAFTYRGSRPBTOIY-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.05
Rot. Bonds5

About N-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide

N-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide (PubChem CID 2802820) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide
PubChem CID2802820
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide
SMILESO=C(NC(C(=O)c1ccccc1)n1cnccc1=O)c1ccccc1
InChIInChI=1S/C19H15N3O3/c23-16-11-12-20-13-22(16)18(17(24)14-7-3-1-4-8-14)21-19(25)15-9-5-2-6-10-15/h1-13,18H,(H,21,25)
InChIKeyAFTYRGSRPBTOIY-UHFFFAOYSA-N
XLogP2.05
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide?
The IUPAC name of N-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide (CID 2802820) is N-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for N-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide?
The canonical SMILES for N-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide is O=C(NC(C(=O)c1ccccc1)n1cnccc1=O)c1ccccc1.
What is the InChIKey of N-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide?
The InChIKey is AFTYRGSRPBTOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-16-11-12-20-13-22(16)18(17(24)14-7-3-1-4-8-14)21-19(25)15-9-5-2-6-10-15/h1-13,18H,(H,21,25).
What are the key properties of N-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide?
N-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide has a molecular weight of 333.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(6-oxopyrimidin-1-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 2802820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).