N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide

C17H13N3O3 — CID 810233

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H13N3O3/c21-15(19-14-10-18-17(23)20-16(14)22)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,19,21)(H2,18,20,22,23)
InChIKeyTZXSXUXCXGSSBY-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.98
Rot. Bonds3

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide (PubChem CID 810233) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide
PubChem CID810233
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H13N3O3/c21-15(19-14-10-18-17(23)20-16(14)22)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,19,21)(H2,18,20,22,23)
InChIKeyTZXSXUXCXGSSBY-UHFFFAOYSA-N
XLogP1.98
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 108797111
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 714768
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790358
N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methyl-4-nitrobenzamide
CID 3718299
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 28773270
N-(2-acetylphenyl)-4-phenylbenzamide
CID 4799727
N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide
CID 42580706
methyl 4-[(2,4-dioxo-1H-pyrimidin-5-yl)carbamoylamino]benzoate
CID 46390718
N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
2-benzamido-N-(4-phenylphenyl)benzamide
CID 5224038
N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43599993
N-ethyl-2-[(4-phenylbenzoyl)amino]benzamide
CID 4949283

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide (CID 810233) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide is O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide?
The InChIKey is TZXSXUXCXGSSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-15(19-14-10-18-17(23)20-16(14)22)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,19,21)(H2,18,20,22,23).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide has a molecular weight of 307.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide is sourced from PubChem (CID 810233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).