2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide

C19H20FN3O3 — CID 108528480

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide
SMILESCN(C(=O)C(=O)N1CCN(c2ccccc2F)CC1)c1ccc(O)cc1
InChIInChI=1S/C19H20FN3O3/c1-21(14-6-8-15(24)9-7-14)18(25)19(26)23-12-10-22(11-13-23)17-5-3-2-4-16(17)20/h2-9,24H,10-13H2,1H3
InChIKeyHBLKASFYWVNFMS-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.84
Rot. Bonds2

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide (PubChem CID 108528480) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide
PubChem CID108528480
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide
SMILESCN(C(=O)C(=O)N1CCN(c2ccccc2F)CC1)c1ccc(O)cc1
InChIInChI=1S/C19H20FN3O3/c1-21(14-6-8-15(24)9-7-14)18(25)19(26)23-12-10-22(11-13-23)17-5-3-2-4-16(17)20/h2-9,24H,10-13H2,1H3
InChIKeyHBLKASFYWVNFMS-UHFFFAOYSA-N
XLogP1.84
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.84
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-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108521011
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504673
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide
CID 54936333
ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 3597509
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
(E)-3-(2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylprop-2-en-1-one
CID 110298667
N-(2,4-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902220
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide (CID 108528480) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide is CN(C(=O)C(=O)N1CCN(c2ccccc2F)CC1)c1ccc(O)cc1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide?
The InChIKey is HBLKASFYWVNFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-21(14-6-8-15(24)9-7-14)18(25)19(26)23-12-10-22(11-13-23)17-5-3-2-4-16(17)20/h2-9,24H,10-13H2,1H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide has a molecular weight of 357.39 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 108528480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).