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

C18H16F3N3O2 — CID 44902220

IUPACN-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(F)cc1F)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H16F3N3O2/c19-12-5-6-15(14(21)11-12)22-17(25)18(26)24-9-7-23(8-10-24)16-4-2-1-3-13(16)20/h1-6,11H,7-10H2,(H,22,25)
InChIKeyOWMWGGVDGKIIFY-UHFFFAOYSA-N
MW363.34 g/mol
LogP2.39
Rot. Bonds2

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

N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 44902220) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID44902220
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC NameN-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(F)cc1F)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H16F3N3O2/c19-12-5-6-15(14(21)11-12)22-17(25)18(26)24-9-7-23(8-10-24)16-4-2-1-3-13(16)20/h1-6,11H,7-10H2,(H,22,25)
InChIKeyOWMWGGVDGKIIFY-UHFFFAOYSA-N
XLogP2.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 52.39
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-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950727
N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902700
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108527539
N-(2,4-difluorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47109120
N-(2-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902668
N-(2,5-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902723
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide
CID 54936333
N-(5-chloro-2-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 18588710
4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 3758236
4-(2-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112616
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide (CID 44902220) is N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide is O=C(Nc1ccc(F)cc1F)C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is OWMWGGVDGKIIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-12-5-6-15(14(21)11-12)22-17(25)18(26)24-9-7-23(8-10-24)16-4-2-1-3-13(16)20/h1-6,11H,7-10H2,(H,22,25).
What are the key properties of N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide?
N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 363.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 44902220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).