11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide

C21H29FN2O3 — CID 17035124

IUPAC11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide
SMILESO=C(CCCCCCCCCCN1C(=O)CCC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H29FN2O3/c22-17-10-12-18(13-11-17)23-19(25)9-7-5-3-1-2-4-6-8-16-24-20(26)14-15-21(24)27/h10-13H,1-9,14-16H2,(H,23,25)
InChIKeyIXBOWZZNIVOHRE-UHFFFAOYSA-N
MW376.47 g/mol
LogP4.42
Rot. Bonds12

About 11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide

11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide (PubChem CID 17035124) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is 11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide.

Molecular Properties

Compound Name11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide
PubChem CID17035124
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC Name11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide
SMILESO=C(CCCCCCCCCCN1C(=O)CCC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H29FN2O3/c22-17-10-12-18(13-11-17)23-19(25)9-7-5-3-1-2-4-6-8-16-24-20(26)14-15-21(24)27/h10-13H,1-9,14-16H2,(H,23,25)
InChIKeyIXBOWZZNIVOHRE-UHFFFAOYSA-N
XLogP4.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-11-(2,5-dioxopyrrolidin-1-yl)undecanamide
CID 17035141
6-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylphenyl)hexanamide
CID 17035026
6-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(4-fluorophenyl)hexanamide
CID 18851917
11-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)undecanamide
CID 17035126
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650
6-[(1R,2S,6R,7S,8S,9R)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-fluorophenyl)hexanamide
CID 98105998
N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9210364
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 18128156
N-(4-fluorophenyl)-6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034017
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64793189
N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
N-(2-chlorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 17035040

Frequently Asked Questions

What is the IUPAC name of 11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide?
The IUPAC name of 11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide (CID 17035124) is 11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide.
What is the SMILES notation for 11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide?
The canonical SMILES for 11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide is O=C(CCCCCCCCCCN1C(=O)CCC1=O)Nc1ccc(F)cc1.
What is the InChIKey of 11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide?
The InChIKey is IXBOWZZNIVOHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3/c22-17-10-12-18(13-11-17)23-19(25)9-7-5-3-1-2-4-6-8-16-24-20(26)14-15-21(24)27/h10-13H,1-9,14-16H2,(H,23,25).
What are the key properties of 11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide?
11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide has a molecular weight of 376.47 g/mol, XLogP of 4.42, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)undecanamide is sourced from PubChem (CID 17035124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).