N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide

C20H17N3O3 — CID 2802825

IUPACN-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide
SMILESCc1cc(=O)n(C(NC(=O)c2ccccc2)C(=O)c2ccccc2)cn1
InChIInChI=1S/C20H17N3O3/c1-14-12-17(24)23(13-21-14)19(18(25)15-8-4-2-5-9-15)22-20(26)16-10-6-3-7-11-16/h2-13,19H,1H3,(H,22,26)
InChIKeyCBNMUUXYTARFEC-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.36
Rot. Bonds5

About N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide

N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide (PubChem CID 2802825) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide
PubChem CID2802825
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide
SMILESCc1cc(=O)n(C(NC(=O)c2ccccc2)C(=O)c2ccccc2)cn1
InChIInChI=1S/C20H17N3O3/c1-14-12-17(24)23(13-21-14)19(18(25)15-8-4-2-5-9-15)22-20(26)16-10-6-3-7-11-16/h2-13,19H,1H3,(H,22,26)
InChIKeyCBNMUUXYTARFEC-UHFFFAOYSA-N
XLogP2.36
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
The IUPAC name of N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide (CID 2802825) is N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide.
What is the SMILES notation for N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
The canonical SMILES for N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide is Cc1cc(=O)n(C(NC(=O)c2ccccc2)C(=O)c2ccccc2)cn1.
What is the InChIKey of N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
The InChIKey is CBNMUUXYTARFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-14-12-17(24)23(13-21-14)19(18(25)15-8-4-2-5-9-15)22-20(26)16-10-6-3-7-11-16/h2-13,19H,1H3,(H,22,26).
What are the key properties of N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide?
N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide has a molecular weight of 347.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-6-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]benzamide is sourced from PubChem (CID 2802825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).