N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide

C15H20FN3O2 — CID 2955947

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide
SMILESCCN1CCCC1CNC(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O2/c1-2-19-9-3-4-13(19)10-17-14(20)15(21)18-12-7-5-11(16)6-8-12/h5-8,13H,2-4,9-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyNTYBNCQWAGMSGA-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.36
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide (PubChem CID 2955947) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide
PubChem CID2955947
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide
SMILESCCN1CCCC1CNC(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O2/c1-2-19-9-3-4-13(19)10-17-14(20)15(21)18-12-7-5-11(16)6-8-12/h5-8,13H,2-4,9-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyNTYBNCQWAGMSGA-UHFFFAOYSA-N
XLogP1.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide (CID 2955947) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide is CCN1CCCC1CNC(=O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide?
The InChIKey is NTYBNCQWAGMSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-2-19-9-3-4-13(19)10-17-14(20)15(21)18-12-7-5-11(16)6-8-12/h5-8,13H,2-4,9-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide has a molecular weight of 293.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-fluorophenyl)oxamide is sourced from PubChem (CID 2955947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).