N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide

C20H22FN3O2 — CID 44902700

IUPACN-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C20H22FN3O2/c1-14-7-8-17(15(2)13-14)22-19(25)20(26)24-11-9-23(10-12-24)18-6-4-3-5-16(18)21/h3-8,13H,9-12H2,1-2H3,(H,22,25)
InChIKeyMWGZDQWEJAOWLK-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.73
Rot. Bonds2

About N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide

N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 44902700) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID44902700
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C20H22FN3O2/c1-14-7-8-17(15(2)13-14)22-19(25)20(26)24-11-9-23(10-12-24)18-6-4-3-5-16(18)21/h3-8,13H,9-12H2,1-2H3,(H,22,25)
InChIKeyMWGZDQWEJAOWLK-UHFFFAOYSA-N
XLogP2.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.73
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

N-(2,5-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902723
N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902220
N-(2-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902668
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108527539
N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507375
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide
CID 54936333
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958
N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111479
N-(5-chloro-2-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 18588710
N-(2,4-dimethylphenyl)-2-[2-ethoxy-4-[4-(2-fluorophenyl)piperazine-1-carbothioyl]phenoxy]acetamide
CID 126274373
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide (CID 44902700) is N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is MWGZDQWEJAOWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14-7-8-17(15(2)13-14)22-19(25)20(26)24-11-9-23(10-12-24)18-6-4-3-5-16(18)21/h3-8,13H,9-12H2,1-2H3,(H,22,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 355.41 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 44902700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).