N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide

C19H15N3O4 — CID 648586

IUPACN-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide
SMILESO=C(NC(C(=O)c1ccccc1)n1ccc(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C19H15N3O4/c23-15-11-12-22(19(26)20-15)17(16(24)13-7-3-1-4-8-13)21-18(25)14-9-5-2-6-10-14/h1-12,17H,(H,21,25)(H,20,23,26)
InChIKeyFZIAHUHNQMNPJQ-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.35
Rot. Bonds5

About N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide

N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide (PubChem CID 648586) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide
PubChem CID648586
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide
SMILESO=C(NC(C(=O)c1ccccc1)n1ccc(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C19H15N3O4/c23-15-11-12-22(19(26)20-15)17(16(24)13-7-3-1-4-8-13)21-18(25)14-9-5-2-6-10-14/h1-12,17H,(H,21,25)(H,20,23,26)
InChIKeyFZIAHUHNQMNPJQ-UHFFFAOYSA-N
XLogP1.35
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
The IUPAC name of N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide (CID 648586) is N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide.
What is the SMILES notation for N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
The canonical SMILES for N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide is O=C(NC(C(=O)c1ccccc1)n1ccc(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
The InChIKey is FZIAHUHNQMNPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-15-11-12-22(19(26)20-15)17(16(24)13-7-3-1-4-8-13)21-18(25)14-9-5-2-6-10-14/h1-12,17H,(H,21,25)(H,20,23,26).
What are the key properties of N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide has a molecular weight of 349.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dioxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide is sourced from PubChem (CID 648586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).