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

C15H18FN3O3 — CID 7292824

IUPACN'-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
SMILESO=C(NCCCN1CCCC1=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H18FN3O3/c16-11-4-1-5-12(10-11)18-15(22)14(21)17-7-3-9-19-8-2-6-13(19)20/h1,4-5,10H,2-3,6-9H2,(H,17,21)(H,18,22)
InChIKeyYWMVZRDMNKHHNG-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.89
Rot. Bonds5

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

N'-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide (PubChem CID 7292824) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
PubChem CID7292824
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC NameN'-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
SMILESO=C(NCCCN1CCCC1=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H18FN3O3/c16-11-4-1-5-12(10-11)18-15(22)14(21)17-7-3-9-19-8-2-6-13(19)20/h1,4-5,10H,2-3,6-9H2,(H,17,21)(H,18,22)
InChIKeyYWMVZRDMNKHHNG-UHFFFAOYSA-N
XLogP0.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.89
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'-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The IUPAC name of N'-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide (CID 7292824) is N'-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide is O=C(NCCCN1CCCC1=O)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
The InChIKey is YWMVZRDMNKHHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c16-11-4-1-5-12(10-11)18-15(22)14(21)17-7-3-9-19-8-2-6-13(19)20/h1,4-5,10H,2-3,6-9H2,(H,17,21)(H,18,22).
What are the key properties of N'-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide?
N'-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide has a molecular weight of 307.32 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide is sourced from PubChem (CID 7292824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).