N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide

C18H15N3O3 — CID 3526601

IUPACN-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C18H15N3O3/c22-16(19-15-11-17(23)21-18(24)20-15)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,19,20,21,22,23,24)
InChIKeyLSCQDFBREICGHY-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.91
Rot. Bonds4

About N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide

N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide (PubChem CID 3526601) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide
PubChem CID3526601
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C18H15N3O3/c22-16(19-15-11-17(23)21-18(24)20-15)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,19,20,21,22,23,24)
InChIKeyLSCQDFBREICGHY-UHFFFAOYSA-N
XLogP1.91
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide (CID 3526601) is N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide?
The InChIKey is LSCQDFBREICGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-16(19-15-11-17(23)21-18(24)20-15)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,19,20,21,22,23,24).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide?
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-phenylphenyl)acetamide has a molecular weight of 321.34 g/mol, XLogP of 1.91, 4 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-6-yl)-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 3526601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).