N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide

C20H20FN3O3 — CID 53063782

IUPACN-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
SMILESCc1ccc(CN2CCN(CC(=O)Nc3ccccc3F)C(=O)C2=O)cc1
InChIInChI=1S/C20H20FN3O3/c1-14-6-8-15(9-7-14)12-23-10-11-24(20(27)19(23)26)13-18(25)22-17-5-3-2-4-16(17)21/h2-9H,10-13H2,1H3,(H,22,25)
InChIKeyCSXSVLYTHDNXOC-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.94
Rot. Bonds5

About N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide

N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide (PubChem CID 53063782) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
PubChem CID53063782
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
SMILESCc1ccc(CN2CCN(CC(=O)Nc3ccccc3F)C(=O)C2=O)cc1
InChIInChI=1S/C20H20FN3O3/c1-14-6-8-15(9-7-14)12-23-10-11-24(20(27)19(23)26)13-18(25)22-17-5-3-2-4-16(17)21/h2-9H,10-13H2,1H3,(H,22,25)
InChIKeyCSXSVLYTHDNXOC-UHFFFAOYSA-N
XLogP1.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 53063709
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7190160
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063836
N-(2,3-dimethylphenyl)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063688
N-(3-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063837
N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide
CID 167997554
N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063815
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 53135615
2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-pyridin-2-ylacetamide
CID 53063672
2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 53063800
[2-(2-fluoroanilino)-2-oxoethyl] (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 35774664
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 20932177

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide (CID 53063782) is N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide is Cc1ccc(CN2CCN(CC(=O)Nc3ccccc3F)C(=O)C2=O)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
The InChIKey is CSXSVLYTHDNXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-14-6-8-15(9-7-14)12-23-10-11-24(20(27)19(23)26)13-18(25)22-17-5-3-2-4-16(17)21/h2-9H,10-13H2,1H3,(H,22,25).
What are the key properties of N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide has a molecular weight of 369.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide is sourced from PubChem (CID 53063782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).