4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide

C21H23FN4O3 — CID 146091467

IUPAC4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide
SMILESCCc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(F)c3)CC2)cc1
InChIInChI=1S/C21H23FN4O3/c1-2-14-3-6-16(7-4-14)25-9-11-26(12-10-25)21(29)20(28)24-15-5-8-17(19(23)27)18(22)13-15/h3-8,13H,2,9-12H2,1H3,(H2,23,27)(H,24,28)
InChIKeyMXIQSPFNZFKWSN-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.77
Rot. Bonds4

About 4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide

4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide (PubChem CID 146091467) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide
PubChem CID146091467
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide
SMILESCCc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(F)c3)CC2)cc1
InChIInChI=1S/C21H23FN4O3/c1-2-14-3-6-16(7-4-14)25-9-11-26(12-10-25)21(29)20(28)24-15-5-8-17(19(23)27)18(22)13-15/h3-8,13H,2,9-12H2,1H3,(H2,23,27)(H,24,28)
InChIKeyMXIQSPFNZFKWSN-UHFFFAOYSA-N
XLogP1.77
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44999577
N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902445
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-yl-2-oxoacetamide
CID 108514130
4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112138
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44892063
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide
CID 108508662
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
CID 17050565
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44892200
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 58350638
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide
CID 44902269
2-[2-chloro-4-[4-(4-fluorophenyl)piperazine-1-carbothioyl]phenoxy]-N-(4-ethylphenyl)acetamide
CID 126267193
[4-(4-propanoylpiperazin-1-yl)phenyl]thiourea
CID 50879805

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide?
The IUPAC name of 4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide (CID 146091467) is 4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide.
What is the SMILES notation for 4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide?
The canonical SMILES for 4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide is CCc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(F)c3)CC2)cc1.
What is the InChIKey of 4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide?
The InChIKey is MXIQSPFNZFKWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-2-14-3-6-16(7-4-14)25-9-11-26(12-10-25)21(29)20(28)24-15-5-8-17(19(23)27)18(22)13-15/h3-8,13H,2,9-12H2,1H3,(H2,23,27)(H,24,28).
What are the key properties of 4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide?
4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide has a molecular weight of 398.44 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(4-ethylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]-2-fluorobenzamide is sourced from PubChem (CID 146091467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).