2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide

C20H19FN4O3 — CID 58350638

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide
SMILESO=C1Cc2ccc(NC(=O)C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2N1
InChIInChI=1S/C20H19FN4O3/c21-14-2-5-16(6-3-14)24-7-9-25(10-8-24)20(28)19(27)22-15-4-1-13-11-18(26)23-17(13)12-15/h1-6,12H,7-11H2,(H,22,27)(H,23,26)
InChIKeyDQEUAEMBKVJJDW-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.61
Rot. Bonds2

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide (PubChem CID 58350638) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide
PubChem CID58350638
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide
SMILESO=C1Cc2ccc(NC(=O)C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2N1
InChIInChI=1S/C20H19FN4O3/c21-14-2-5-16(6-3-14)24-7-9-25(10-8-24)20(28)19(27)22-15-4-1-13-11-18(26)23-17(13)12-15/h1-6,12H,7-11H2,(H,22,27)(H,23,26)
InChIKeyDQEUAEMBKVJJDW-UHFFFAOYSA-N
XLogP1.61
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-yl-2-oxoacetamide
CID 108514130
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
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide
CID 58350689
N-(3H-indol-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 58350682
2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58350655
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 25258480
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
2-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58350844
1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea
CID 165032229
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide
CID 44902269
N-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 166332272

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide (CID 58350638) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide is O=C1Cc2ccc(NC(=O)C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2N1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
The InChIKey is DQEUAEMBKVJJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-14-2-5-16(6-3-14)24-7-9-25(10-8-24)20(28)19(27)22-15-4-1-13-11-18(26)23-17(13)12-15/h1-6,12H,7-11H2,(H,22,27)(H,23,26).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide has a molecular weight of 382.40 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide is sourced from PubChem (CID 58350638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).