N'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide

C16H20FN3O3 — CID 18588579

IUPACN'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
SMILESO=C(NCCCN1CCCC1=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H20FN3O3/c17-13-6-4-12(5-7-13)11-19-16(23)15(22)18-8-2-10-20-9-1-3-14(20)21/h4-7H,1-3,8-11H2,(H,18,22)(H,19,23)
InChIKeyFWKOWIGSQAJNNR-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.57
Rot. Bonds6

About N'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide

N'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide (PubChem CID 18588579) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
PubChem CID18588579
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
SMILESO=C(NCCCN1CCCC1=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H20FN3O3/c17-13-6-4-12(5-7-13)11-19-16(23)15(22)18-8-2-10-20-9-1-3-14(20)21/h4-7H,1-3,8-11H2,(H,18,22)(H,19,23)
InChIKeyFWKOWIGSQAJNNR-UHFFFAOYSA-N
XLogP0.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide (CID 18588579) is N'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide is O=C(NCCCN1CCCC1=O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The InChIKey is FWKOWIGSQAJNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c17-13-6-4-12(5-7-13)11-19-16(23)15(22)18-8-2-10-20-9-1-3-14(20)21/h4-7H,1-3,8-11H2,(H,18,22)(H,19,23).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
N'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide has a molecular weight of 321.35 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide is sourced from PubChem (CID 18588579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).