N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide

C20H20FN3O4 — CID 167997554

IUPACN-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1N1CCN(CC(=O)Nc2ccccc2F)C(=O)C1=O
InChIInChI=1S/C20H20FN3O4/c1-13-7-8-17(28-2)16(11-13)24-10-9-23(19(26)20(24)27)12-18(25)22-15-6-4-3-5-14(15)21/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyGVZPUVOTNFJZJS-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.96
Rot. Bonds5

About N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide

N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide (PubChem CID 167997554) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide
PubChem CID167997554
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC NameN-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1N1CCN(CC(=O)Nc2ccccc2F)C(=O)C1=O
InChIInChI=1S/C20H20FN3O4/c1-13-7-8-17(28-2)16(11-13)24-10-9-23(19(26)20(24)27)12-18(25)22-15-6-4-3-5-14(15)21/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)
InChIKeyGVZPUVOTNFJZJS-UHFFFAOYSA-N
XLogP1.96
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7190160
N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063782
N-(2,4-dimethoxyphenyl)-2-(2,3-dioxo-4-phenylpiperazin-1-yl)acetamide
CID 167997381
N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686607
N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopiperazin-1-yl]acetamide
CID 167997454
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 78894098
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110754936
2-(2-fluoroanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507284
N-[2-(2-methoxyanilino)-2-oxoethyl]-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55330592
2-[4-(4-fluorophenyl)-2,3-dioxopiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 167998424
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78898984
2-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 20970572

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide (CID 167997554) is N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide is COc1ccc(C)cc1N1CCN(CC(=O)Nc2ccccc2F)C(=O)C1=O.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide?
The InChIKey is GVZPUVOTNFJZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-13-7-8-17(28-2)16(11-13)24-10-9-23(19(26)20(24)27)12-18(25)22-15-6-4-3-5-14(15)21/h3-8,11H,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide has a molecular weight of 385.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide is sourced from PubChem (CID 167997554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).